6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide

C21H22N6O — CID 56891500

IUPAC6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@H]2CC[C@H](Nc3nccc(-c4cccnc4)n3)C2)n1
InChIInChI=1S/C21H22N6O/c1-14-4-2-6-19(24-14)20(28)25-16-7-8-17(12-16)26-21-23-11-9-18(27-21)15-5-3-10-22-13-15/h2-6,9-11,13,16-17H,7-8,12H2,1H3,(H,25,28)(H,23,26,27)/t16-,17-/m0/s1
InChIKeyGADJJTSTGYMWEN-IRXDYDNUSA-N
MW374.45 g/mol
LogP3.01
Rot. Bonds5

About 6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide

6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide (PubChem CID 56891500) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide
PubChem CID56891500
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@H]2CC[C@H](Nc3nccc(-c4cccnc4)n3)C2)n1
InChIInChI=1S/C21H22N6O/c1-14-4-2-6-19(24-14)20(28)25-16-7-8-17(12-16)26-21-23-11-9-18(27-21)15-5-3-10-22-13-15/h2-6,9-11,13,16-17H,7-8,12H2,1H3,(H,25,28)(H,23,26,27)/t16-,17-/m0/s1
InChIKeyGADJJTSTGYMWEN-IRXDYDNUSA-N
XLogP3.01
TPSA92.69 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 ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide with MolForge

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Related Compounds

3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide
CID 56884150
2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide
CID 133110462
N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide
CID 56884764
4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide
CID 56882621
N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 56883043
ethane;6-methyl-N-(6-pyridin-3-yl-2-pyridinyl)pyridine-2-carboxamide
CID 143094222
N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-4-carboxamide
CID 56912752
[(3R)-3-[(5-chloro-4-pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]carbamic acid
CID 118024247
[(1S,3S)-3-[[4-(2-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-2-yl]amino]cyclopentyl]carbamic acid
CID 174232050
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
3-[(4-phenylpyrimidin-2-yl)amino]cyclohexane-1-carboxamide
CID 117073719

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide (CID 56891500) is 6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide is Cc1cccc(C(=O)N[C@H]2CC[C@H](Nc3nccc(-c4cccnc4)n3)C2)n1.
What is the InChIKey of 6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide?
The InChIKey is GADJJTSTGYMWEN-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H22N6O/c1-14-4-2-6-19(24-14)20(28)25-16-7-8-17(12-16)26-21-23-11-9-18(27-21)15-5-3-10-22-13-15/h2-6,9-11,13,16-17H,7-8,12H2,1H3,(H,25,28)(H,23,26,27)/t16-,17-/m0/s1.
What are the key properties of 6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide?
6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide is sourced from PubChem (CID 56891500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).