N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-(diethylaminomethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide

C30H32N6O3 — CID 66720004

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-(diethylaminomethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
SMILESCCN(CC)Cc1ccc(-c2ccn(-c3ncccc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)n2)cc1
InChIInChI=1S/C30H32N6O3/c1-3-35(4-2)20-22-12-14-23(15-13-22)25-16-18-36(34-25)29-24(11-8-17-32-29)30(39)33-26(27(37)28(31)38)19-21-9-6-5-7-10-21/h5-18,26H,3-4,19-20H2,1-2H3,(H2,31,38)(H,33,39)
InChIKeyCDTXTLFGVZEJDY-UHFFFAOYSA-N
MW524.63 g/mol
LogP3.17
Rot. Bonds12

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-(diethylaminomethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-(diethylaminomethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 66720004) has the molecular formula C30H32N6O3 and a molecular weight of 524.63 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-(diethylaminomethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-(diethylaminomethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID66720004
Molecular FormulaC30H32N6O3
Molecular Weight524.63 g/mol
Exact Mass524.25
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-(diethylaminomethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
SMILESCCN(CC)Cc1ccc(-c2ccn(-c3ncccc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)n2)cc1
InChIInChI=1S/C30H32N6O3/c1-3-35(4-2)20-22-12-14-23(15-13-22)25-16-18-36(34-25)29-24(11-8-17-32-29)30(39)33-26(27(37)28(31)38)19-21-9-6-5-7-10-21/h5-18,26H,3-4,19-20H2,1-2H3,(H2,31,38)(H,33,39)
InChIKeyCDTXTLFGVZEJDY-UHFFFAOYSA-N
XLogP3.17
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.63
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Gsk 343
CID 71268957
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(R)-2-(((S)-2-(4-Cyanophenyl)propyl)amino)-N-(5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl)-2-phenylacetamide
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CID 10048045
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Pyrrolo-pyrimidone, 18
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CID 54596764
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720197
2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-(diethylaminomethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-(diethylaminomethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide (CID 66720004) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-(diethylaminomethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-(diethylaminomethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-(diethylaminomethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide is CCN(CC)Cc1ccc(-c2ccn(-c3ncccc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)n2)cc1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-(diethylaminomethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is CDTXTLFGVZEJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O3/c1-3-35(4-2)20-22-12-14-23(15-13-22)25-16-18-36(34-25)29-24(11-8-17-32-29)30(39)33-26(27(37)28(31)38)19-21-9-6-5-7-10-21/h5-18,26H,3-4,19-20H2,1-2H3,(H2,31,38)(H,33,39).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-(diethylaminomethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-(diethylaminomethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 524.63 g/mol, XLogP of 3.17, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-(diethylaminomethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 66720004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).