N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide

C25H27N7O — CID 134450290

IUPACN-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide
SMILESCCN(CC)CCn1cc(NC(=O)c2cccc(-c3ccncc3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C25H27N7O/c1-3-31(4-2)16-17-32-18-23(24(30-32)21-8-5-6-13-27-21)29-25(33)22-10-7-9-20(28-22)19-11-14-26-15-12-19/h5-15,18H,3-4,16-17H2,1-2H3,(H,29,33)
InChIKeyDGLFAPYNKMSWNP-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.00
Rot. Bonds9

About N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide

N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide (PubChem CID 134450290) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide
PubChem CID134450290
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC NameN-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide
SMILESCCN(CC)CCn1cc(NC(=O)c2cccc(-c3ccncc3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C25H27N7O/c1-3-31(4-2)16-17-32-18-23(24(30-32)21-8-5-6-13-27-21)29-25(33)22-10-7-9-20(28-22)19-11-14-26-15-12-19/h5-15,18H,3-4,16-17H2,1-2H3,(H,29,33)
InChIKeyDGLFAPYNKMSWNP-UHFFFAOYSA-N
XLogP4.00
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638677
5-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide
CID 175790512
6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
CID 134450325
6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 134450198
N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide
CID 134453104
6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 134450248
N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638562
N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 134450354
6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 160857788
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide
CID 134452889
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-yloxy)-3-pyridinyl]pyridine-2-carboxamide
CID 134450226
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide
CID 134450315

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide (CID 134450290) is N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide is CCN(CC)CCn1cc(NC(=O)c2cccc(-c3ccncc3)n2)c(-c2ccccn2)n1.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide?
The InChIKey is DGLFAPYNKMSWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-3-31(4-2)16-17-32-18-23(24(30-32)21-8-5-6-13-27-21)29-25(33)22-10-7-9-20(28-22)19-11-14-26-15-12-19/h5-15,18H,3-4,16-17H2,1-2H3,(H,29,33).
What are the key properties of N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide?
N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 134450290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).