N-[6-[(Z)-N-amino-N-[(2R)-1-hydroxypropan-2-yl]carbamohydrazonoyl]-2-pyridinyl]-4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxamide

C23H31N9O2 — CID 174349810

IUPACN-[6-[(Z)-N-amino-N-[(2R)-1-hydroxypropan-2-yl]carbamohydrazonoyl]-2-pyridinyl]-4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(/C(=N/N)N(N)[C@H](C)CO)n2)cc1-n1cnc(C(C)(C)C)c1
InChIInChI=1S/C23H31N9O2/c1-14-10-26-17(9-18(14)31-11-19(27-13-31)23(3,4)5)22(34)29-20-8-6-7-16(28-20)21(30-24)32(25)15(2)12-33/h6-11,13,15,33H,12,24-25H2,1-5H3,(H,28,29,34)/b30-21-/t15-/m1/s1
InChIKeyAYDKNQRROMRGPR-LZUAHWLCSA-N
MW465.56 g/mol
LogP1.70
Rot. Bonds6

About N-[6-[(Z)-N-amino-N-[(2R)-1-hydroxypropan-2-yl]carbamohydrazonoyl]-2-pyridinyl]-4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxamide

N-[6-[(Z)-N-amino-N-[(2R)-1-hydroxypropan-2-yl]carbamohydrazonoyl]-2-pyridinyl]-4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxamide (PubChem CID 174349810) has the molecular formula C23H31N9O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[6-[(Z)-N-amino-N-[(2R)-1-hydroxypropan-2-yl]carbamohydrazonoyl]-2-pyridinyl]-4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(Z)-N-amino-N-[(2R)-1-hydroxypropan-2-yl]carbamohydrazonoyl]-2-pyridinyl]-4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxamide
PubChem CID174349810
Molecular FormulaC23H31N9O2
Molecular Weight465.56 g/mol
Exact Mass465.26
IUPAC NameN-[6-[(Z)-N-amino-N-[(2R)-1-hydroxypropan-2-yl]carbamohydrazonoyl]-2-pyridinyl]-4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(/C(=N/N)N(N)[C@H](C)CO)n2)cc1-n1cnc(C(C)(C)C)c1
InChIInChI=1S/C23H31N9O2/c1-14-10-26-17(9-18(14)31-11-19(27-13-31)23(3,4)5)22(34)29-20-8-6-7-16(28-20)21(30-24)32(25)15(2)12-33/h6-11,13,15,33H,12,24-25H2,1-5H3,(H,28,29,34)/b30-21-/t15-/m1/s1
InChIKeyAYDKNQRROMRGPR-LZUAHWLCSA-N
XLogP1.70
TPSA160.57 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol
CID 142483654
N-[6-[N-amino-N-(1-hydroxypropan-2-yl)-N'-methylcarbamimidoyl]-2-pyridinyl]-6-methyl-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 142483687
5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide
CID 142472093
7-N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-N-cyclopropyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide
CID 142483955
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide
CID 142483418
tert-butyl 7-[[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
CID 142483788
N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-ethyl-6-methoxy-1,3-dihydroisoindole-5-carboxamide;formamide
CID 142483883
N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-6-fluoro-2-(3-methoxypropanoyl)-1,3-dihydroisoindole-5-carboxamide
CID 142483574
N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide
CID 153359381
7-N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-N-ethyl-6-methoxy-3,4-dihydro-1H-isoquinoline-2,7-dicarboxamide
CID 142483794
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide
CID 153359437
5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide
CID 158964942

Frequently Asked Questions

What is the IUPAC name of N-[6-[(Z)-N-amino-N-[(2R)-1-hydroxypropan-2-yl]carbamohydrazonoyl]-2-pyridinyl]-4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxamide?
The IUPAC name of N-[6-[(Z)-N-amino-N-[(2R)-1-hydroxypropan-2-yl]carbamohydrazonoyl]-2-pyridinyl]-4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxamide (CID 174349810) is N-[6-[(Z)-N-amino-N-[(2R)-1-hydroxypropan-2-yl]carbamohydrazonoyl]-2-pyridinyl]-4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[6-[(Z)-N-amino-N-[(2R)-1-hydroxypropan-2-yl]carbamohydrazonoyl]-2-pyridinyl]-4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxamide?
The canonical SMILES for N-[6-[(Z)-N-amino-N-[(2R)-1-hydroxypropan-2-yl]carbamohydrazonoyl]-2-pyridinyl]-4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxamide is Cc1cnc(C(=O)Nc2cccc(/C(=N/N)N(N)[C@H](C)CO)n2)cc1-n1cnc(C(C)(C)C)c1.
What is the InChIKey of N-[6-[(Z)-N-amino-N-[(2R)-1-hydroxypropan-2-yl]carbamohydrazonoyl]-2-pyridinyl]-4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxamide?
The InChIKey is AYDKNQRROMRGPR-LZUAHWLCSA-N. The full InChI is InChI=1S/C23H31N9O2/c1-14-10-26-17(9-18(14)31-11-19(27-13-31)23(3,4)5)22(34)29-20-8-6-7-16(28-20)21(30-24)32(25)15(2)12-33/h6-11,13,15,33H,12,24-25H2,1-5H3,(H,28,29,34)/b30-21-/t15-/m1/s1.
What are the key properties of N-[6-[(Z)-N-amino-N-[(2R)-1-hydroxypropan-2-yl]carbamohydrazonoyl]-2-pyridinyl]-4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxamide?
N-[6-[(Z)-N-amino-N-[(2R)-1-hydroxypropan-2-yl]carbamohydrazonoyl]-2-pyridinyl]-4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxamide has a molecular weight of 465.56 g/mol, XLogP of 1.70, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(Z)-N-amino-N-[(2R)-1-hydroxypropan-2-yl]carbamohydrazonoyl]-2-pyridinyl]-4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 174349810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).