N-(cyclopropylmethyl)-1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide

C18H23N5O3 — CID 92635191

IUPACN-(cyclopropylmethyl)-1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)Cn1cccc(C(=O)NCC2CC2)c1=O
InChIInChI=1S/C18H23N5O3/c1-11-15(12(2)22-21-11)9-19-16(24)10-23-7-3-4-14(18(23)26)17(25)20-8-13-5-6-13/h3-4,7,13H,5-6,8-10H2,1-2H3,(H,19,24)(H,20,25)(H,21,22)
InChIKeyGMZDLEJBRNTDAV-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.64
Rot. Bonds7

About N-(cyclopropylmethyl)-1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide

N-(cyclopropylmethyl)-1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide (PubChem CID 92635191) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
PubChem CID92635191
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-(cyclopropylmethyl)-1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)Cn1cccc(C(=O)NCC2CC2)c1=O
InChIInChI=1S/C18H23N5O3/c1-11-15(12(2)22-21-11)9-19-16(24)10-23-7-3-4-14(18(23)26)17(25)20-8-13-5-6-13/h3-4,7,13H,5-6,8-10H2,1-2H3,(H,19,24)(H,20,25)(H,21,22)
InChIKeyGMZDLEJBRNTDAV-UHFFFAOYSA-N
XLogP0.64
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide (CID 92635191) is N-(cyclopropylmethyl)-1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide is Cc1n[nH]c(C)c1CNC(=O)Cn1cccc(C(=O)NCC2CC2)c1=O.
What is the InChIKey of N-(cyclopropylmethyl)-1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is GMZDLEJBRNTDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-11-15(12(2)22-21-11)9-19-16(24)10-23-7-3-4-14(18(23)26)17(25)20-8-13-5-6-13/h3-4,7,13H,5-6,8-10H2,1-2H3,(H,19,24)(H,20,25)(H,21,22).
What are the key properties of N-(cyclopropylmethyl)-1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
N-(cyclopropylmethyl)-1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 92635191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).