N-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide

C21H22N6O2 — CID 133306403

IUPACN-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NC3CCN(c4cnn(C)c4)C3=O)nc2)cc1
InChIInChI=1S/C21H22N6O2/c1-14-3-6-16(7-4-14)24-20(28)15-5-8-19(22-11-15)25-18-9-10-27(21(18)29)17-12-23-26(2)13-17/h3-8,11-13,18H,9-10H2,1-2H3,(H,22,25)(H,24,28)
InChIKeyNETQNYAEIYCCRW-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.59
Rot. Bonds5

About N-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide

N-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide (PubChem CID 133306403) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide
PubChem CID133306403
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NC3CCN(c4cnn(C)c4)C3=O)nc2)cc1
InChIInChI=1S/C21H22N6O2/c1-14-3-6-16(7-4-14)24-20(28)15-5-8-19(22-11-15)25-18-9-10-27(21(18)29)17-12-23-26(2)13-17/h3-8,11-13,18H,9-10H2,1-2H3,(H,22,25)(H,24,28)
InChIKeyNETQNYAEIYCCRW-UHFFFAOYSA-N
XLogP2.59
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 133383281
1-(1-methylpyrazol-4-yl)-3-(pyridin-2-ylamino)pyrrolidin-2-one
CID 133306421
1-(1-methylpyrazol-4-yl)-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 133483353
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053869
6-[(2,5-dioxopyrrolidin-1-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 46507746
2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 120668675
N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide
CID 133306320
N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide
CID 124609460
6-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133342318
6-methyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 43074255
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide
CID 9303499
6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133441834

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide (CID 133306403) is N-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(NC3CCN(c4cnn(C)c4)C3=O)nc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide?
The InChIKey is NETQNYAEIYCCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-14-3-6-16(7-4-14)24-20(28)15-5-8-19(22-11-15)25-18-9-10-27(21(18)29)17-12-23-26(2)13-17/h3-8,11-13,18H,9-10H2,1-2H3,(H,22,25)(H,24,28).
What are the key properties of N-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide?
N-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 133306403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).