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

C24H32N8O2 — CID 153359384

IUPACN-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-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(/C(=N/N)N(N)C(C)C)n1
InChIInChI=1S/C24H32N8O2/c1-14(2)31-11-10-19(30-31)17-13-18(21(34-6)12-16(17)5)24(33)28-22-9-7-8-20(27-22)23(29-25)32(26)15(3)4/h7-15H,25-26H2,1-6H3,(H,27,28,33)/b29-23-
InChIKeyIFEMLFDQUWHBBU-FAJYDZGRSA-N
MW464.57 g/mol
LogP3.30
Rot. Bonds7

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

N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide (PubChem CID 153359384) has the molecular formula C24H32N8O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide
PubChem CID153359384
Molecular FormulaC24H32N8O2
Molecular Weight464.57 g/mol
Exact Mass464.26
IUPAC NameN-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-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(/C(=N/N)N(N)C(C)C)n1
InChIInChI=1S/C24H32N8O2/c1-14(2)31-11-10-19(30-31)17-13-18(21(34-6)12-16(17)5)24(33)28-22-9-7-8-20(27-22)23(29-25)32(26)15(3)4/h7-15H,25-26H2,1-6H3,(H,27,28,33)/b29-23-
InChIKeyIFEMLFDQUWHBBU-FAJYDZGRSA-N
XLogP3.30
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 ≤ 53.30
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-[(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
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
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
6-[4-[[(3S)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1,3-benzoxazine-2,4-dione
CID 25142837
6-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1,3-benzoxazine-2,4-dione
CID 25142972

Frequently Asked Questions

What is the IUPAC name of N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide (CID 153359384) is N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-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(/C(=N/N)N(N)C(C)C)n1.
What is the InChIKey of N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide?
The InChIKey is IFEMLFDQUWHBBU-FAJYDZGRSA-N. The full InChI is InChI=1S/C24H32N8O2/c1-14(2)31-11-10-19(30-31)17-13-18(21(34-6)12-16(17)5)24(33)28-22-9-7-8-20(27-22)23(29-25)32(26)15(3)4/h7-15H,25-26H2,1-6H3,(H,27,28,33)/b29-23-.
What are the key properties of N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide?
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-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 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 153359384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).