N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide

C22H29N9O — CID 153359381

IUPACN-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(N(N)/C(=N\N)C(C)C)n2)cc1-c1cn(C(C)C)cn1
InChIInChI=1S/C22H29N9O/c1-13(2)21(29-23)31(24)20-8-6-7-19(27-20)28-22(32)17-9-16(15(5)10-25-17)18-11-30(12-26-18)14(3)4/h6-14H,23-24H2,1-5H3,(H,27,28,32)/b29-21-
InChIKeyMPCIFYRJVRIYLG-ANYBSYGZSA-N
MW435.54 g/mol
LogP3.09
Rot. Bonds6

About N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide

N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide (PubChem CID 153359381) has the molecular formula C22H29N9O and a molecular weight of 435.54 g/mol. Its IUPAC name is N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide
PubChem CID153359381
Molecular FormulaC22H29N9O
Molecular Weight435.54 g/mol
Exact Mass435.25
IUPAC NameN-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(N(N)/C(=N\N)C(C)C)n2)cc1-c1cn(C(C)C)cn1
InChIInChI=1S/C22H29N9O/c1-13(2)21(29-23)31(24)20-8-6-7-19(27-20)28-22(32)17-9-16(15(5)10-25-17)18-11-30(12-26-18)14(3)4/h6-14H,23-24H2,1-5H3,(H,27,28,32)/b29-21-
InChIKeyMPCIFYRJVRIYLG-ANYBSYGZSA-N
XLogP3.09
TPSA140.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

2-fluoro-N-[6-[hydrazinyl(2-methylpropanimidoyl)amino]-2-pyridinyl]-4-methyl-5-(1-propan-2-ylimidazol-4-yl)benzamide
CID 153359456
N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methylbenzamide
CID 153359407
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
N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide
CID 153183817
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide
CID 142483418
5-methyl-4-(1-propan-2-ylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 148900718
N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-4-(3-cyclopropyl-1,2-oxazol-5-yl)-5-methylpyridine-2-carboxamide
CID 153359403
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 142483588
ethyl 2-[2-[5-methyl-2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]cyclopropyl]acetate
CID 148911090
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide
CID 153359437
N-[6-[aminomethyl(2-methylpropanimidoyl)amino]-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;molecular hydrogen
CID 142472157
5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]pyridine-2-carboxamide
CID 142472093

Frequently Asked Questions

What is the IUPAC name of N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide (CID 153359381) is N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide is Cc1cnc(C(=O)Nc2cccc(N(N)/C(=N\N)C(C)C)n2)cc1-c1cn(C(C)C)cn1.
What is the InChIKey of N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide?
The InChIKey is MPCIFYRJVRIYLG-ANYBSYGZSA-N. The full InChI is InChI=1S/C22H29N9O/c1-13(2)21(29-23)31(24)20-8-6-7-19(27-20)28-22(32)17-9-16(15(5)10-25-17)18-11-30(12-26-18)14(3)4/h6-14H,23-24H2,1-5H3,(H,27,28,32)/b29-21-.
What are the key properties of N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide?
N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide has a molecular weight of 435.54 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylimidazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 153359381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).