N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide

C24H32N8O2 — CID 153359346

IUPACN-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide
SMILESCOc1cc(C)c(-c2ccn(C(C)C)n2)cc1C(=O)Nc1cccc(N(N)/C(=N\N)C(C)C)n1
InChIInChI=1S/C24H32N8O2/c1-14(2)23(29-25)32(26)22-9-7-8-21(27-22)28-24(33)18-13-17(16(5)12-20(18)34-6)19-10-11-31(30-19)15(3)4/h7-15H,25-26H2,1-6H3,(H,27,28,33)/b29-23-
InChIKeyOABSDXGKGWKGNW-FAJYDZGRSA-N
MW464.57 g/mol
LogP3.70
Rot. Bonds7

About N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide

N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide (PubChem CID 153359346) has the molecular formula C24H32N8O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide
PubChem CID153359346
Molecular FormulaC24H32N8O2
Molecular Weight464.57 g/mol
Exact Mass464.26
IUPAC NameN-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide
SMILESCOc1cc(C)c(-c2ccn(C(C)C)n2)cc1C(=O)Nc1cccc(N(N)/C(=N\N)C(C)C)n1
InChIInChI=1S/C24H32N8O2/c1-14(2)23(29-25)32(26)22-9-7-8-21(27-22)28-24(33)18-13-17(16(5)12-20(18)34-6)19-10-11-31(30-19)15(3)4/h7-15H,25-26H2,1-6H3,(H,27,28,33)/b29-23-
InChIKeyOABSDXGKGWKGNW-FAJYDZGRSA-N
XLogP3.70
TPSA136.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.70
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

15-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 142411827
4-methoxy-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 145981571
4-methoxy-6-methyl-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 145994100
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720148
N-[(1S,2S)-2-Hydroxycyclohexyl]-1-methoxy-4-{[6-(1H-pyrazol-1-yl)pyridine-3-yl]methyl}-2-naphthamide
CID 71281209
15-(1-Methylpyrazol-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 138458448
2-methoxy-N-{1-[1-(2,4,5-trimethylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide
CID 24791449
N-(4-cyclopropyl-5-pyridin-2-yl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 127039912
(8R)-15-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-8-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 155568326
N-[(1S)-1-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propyl]-2-methoxy-N,5-dimethylbenzamide
CID 156013435
2-amino-N-cyclopropyl-5-[2-[(1S)-1-cyclopropylethyl]-7-methoxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 168272411
3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide
CID 73336036

Frequently Asked Questions

What is the IUPAC name of N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide (CID 153359346) is N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide is COc1cc(C)c(-c2ccn(C(C)C)n2)cc1C(=O)Nc1cccc(N(N)/C(=N\N)C(C)C)n1.
What is the InChIKey of N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide?
The InChIKey is OABSDXGKGWKGNW-FAJYDZGRSA-N. The full InChI is InChI=1S/C24H32N8O2/c1-14(2)23(29-25)32(26)22-9-7-8-21(27-22)28-24(33)18-13-17(16(5)12-20(18)34-6)19-10-11-31(30-19)15(3)4/h7-15H,25-26H2,1-6H3,(H,27,28,33)/b29-23-.
What are the key properties of N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide?
N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide has a molecular weight of 464.57 g/mol, XLogP of 3.70, 7 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]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 153359346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).