N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide

C21H22N6O — CID 134081034

IUPACN-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCN(CC1CC(c2ccccc2)NN1)C(=O)c1cnc(-c2cccnc2)nc1
InChIInChI=1S/C21H22N6O/c1-27(14-18-10-19(26-25-18)15-6-3-2-4-7-15)21(28)17-12-23-20(24-13-17)16-8-5-9-22-11-16/h2-9,11-13,18-19,25-26H,10,14H2,1H3
InChIKeyWHDNNXJEKLVQDK-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.22
Rot. Bonds5

About N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide

N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 134081034) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID134081034
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCN(CC1CC(c2ccccc2)NN1)C(=O)c1cnc(-c2cccnc2)nc1
InChIInChI=1S/C21H22N6O/c1-27(14-18-10-19(26-25-18)15-6-3-2-4-7-15)21(28)17-12-23-20(24-13-17)16-8-5-9-22-11-16/h2-9,11-13,18-19,25-26H,10,14H2,1H3
InChIKeyWHDNNXJEKLVQDK-UHFFFAOYSA-N
XLogP2.22
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyano-4-(cyclohexylamino)-N-{2-[4-(pyrrolidin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108889
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108892
2-cyano-4-(cyclohexylamino)-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108902
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(pyrrolidin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108903
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[3-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108904
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2-(4-{6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-7-methyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
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2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
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2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide
CID 56673153
6-(2-(butylamino)pyrimidin-4-yl)-3-oxo-N-(3-(pyridin-3-yl)propyl)-2,3-dihydropyridazine-4-carboxamide
CID 9822667
4-Benzylamino-2-[(4-piperazin-1-ylphenyl)amino]-pyrimidine-5-carboxamide
CID 23071563
1,3-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 134081034) is N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide is CN(CC1CC(c2ccccc2)NN1)C(=O)c1cnc(-c2cccnc2)nc1.
What is the InChIKey of N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is WHDNNXJEKLVQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-27(14-18-10-19(26-25-18)15-6-3-2-4-7-15)21(28)17-12-23-20(24-13-17)16-8-5-9-22-11-16/h2-9,11-13,18-19,25-26H,10,14H2,1H3.
What are the key properties of N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 134081034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).