N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methylbenzamide

C24H30N8O2 — CID 153359407

IUPACN-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)c(-c2cnn(C3CC3)c2)cc1C(=O)Nc1cccc(N(N)/C(=N\N)C(C)C)n1
InChIInChI=1S/C24H30N8O2/c1-14(2)23(30-25)32(26)22-7-5-6-21(28-22)29-24(33)19-11-18(15(3)10-20(19)34-4)16-12-27-31(13-16)17-8-9-17/h5-7,10-14,17H,8-9,25-26H2,1-4H3,(H,28,29,33)/b30-23-
InChIKeyUQSJWAOZULSVKR-WMMMYUQOSA-N
MW462.56 g/mol
LogP3.46
Rot. Bonds7

About N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methylbenzamide

N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methylbenzamide (PubChem CID 153359407) has the molecular formula C24H30N8O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methylbenzamide
PubChem CID153359407
Molecular FormulaC24H30N8O2
Molecular Weight462.56 g/mol
Exact Mass462.25
IUPAC NameN-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)c(-c2cnn(C3CC3)c2)cc1C(=O)Nc1cccc(N(N)/C(=N\N)C(C)C)n1
InChIInChI=1S/C24H30N8O2/c1-14(2)23(30-25)32(26)22-7-5-6-21(28-22)29-24(33)19-11-18(15(3)10-20(19)34-4)16-12-27-31(13-16)17-8-9-17/h5-7,10-14,17H,8-9,25-26H2,1-4H3,(H,28,29,33)/b30-23-
InChIKeyUQSJWAOZULSVKR-WMMMYUQOSA-N
XLogP3.46
TPSA136.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 53.46
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
2-(4-methoxyphenyl)-N-[6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 58082451
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
3-methoxy-N-(4-methyl-2-pyridyl)-2-naphthamide
CID 16391032
3-methoxy-N-(5-methyl-2-pyridinyl)-2-naphthalenecarboxamide
CID 16391033
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-amino-N-cyclopropyl-5-[2-[(1S)-1-cyclopropylethyl]-7-(difluoromethoxy)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163212515
6-(4-methoxy-2-methylphenyl)-2-(6-((S)-3-(methylamino)pyrrolidin-1-yl)pyridin-3-yl)phthalazin-1(2H)-one
CID 11546697
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

Frequently Asked Questions

What is the IUPAC name of N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methylbenzamide?
The IUPAC name of N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methylbenzamide (CID 153359407) is N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methylbenzamide?
The canonical SMILES for N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methylbenzamide is COc1cc(C)c(-c2cnn(C3CC3)c2)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]-5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methylbenzamide?
The InChIKey is UQSJWAOZULSVKR-WMMMYUQOSA-N. The full InChI is InChI=1S/C24H30N8O2/c1-14(2)23(30-25)32(26)22-7-5-6-21(28-22)29-24(33)19-11-18(15(3)10-20(19)34-4)16-12-27-31(13-16)17-8-9-17/h5-7,10-14,17H,8-9,25-26H2,1-4H3,(H,28,29,33)/b30-23-.
What are the key properties of N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methylbenzamide?
N-[6-[amino(2-methylpropanehydrazonoyl)amino]-2-pyridinyl]-5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methylbenzamide has a molecular weight of 462.56 g/mol, XLogP of 3.46, 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]-5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methylbenzamide is sourced from PubChem (CID 153359407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).