4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide

C20H21N7O — CID 56882621

IUPAC4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)N[C@H]1CC[C@H](Nc2nccc(-c3ccncc3)n2)C1
InChIInChI=1S/C20H21N7O/c1-13-17(11-22-12-24-13)19(28)25-15-2-3-16(10-15)26-20-23-9-6-18(27-20)14-4-7-21-8-5-14/h4-9,11-12,15-16H,2-3,10H2,1H3,(H,25,28)(H,23,26,27)/t15-,16-/m0/s1
InChIKeyFHBKVUQROTWNNP-HOTGVXAUSA-N
MW375.44 g/mol
LogP2.40
Rot. Bonds5

About 4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide

4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide (PubChem CID 56882621) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide
PubChem CID56882621
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)N[C@H]1CC[C@H](Nc2nccc(-c3ccncc3)n2)C1
InChIInChI=1S/C20H21N7O/c1-13-17(11-22-12-24-13)19(28)25-15-2-3-16(10-15)26-20-23-9-6-18(27-20)14-4-7-21-8-5-14/h4-9,11-12,15-16H,2-3,10H2,1H3,(H,25,28)(H,23,26,27)/t15-,16-/m0/s1
InChIKeyFHBKVUQROTWNNP-HOTGVXAUSA-N
XLogP2.40
TPSA105.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide
CID 56884764
N-cyclopropyl-4-methylpyrimidine-5-carboxamide
CID 110848001
6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide
CID 56891500
cis-(1R,3S)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677737
cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675402
N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-4-carboxamide
CID 56912752
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
[(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-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 56883043
3-[(4-phenylpyrimidin-2-yl)amino]cyclohexane-1-carboxamide
CID 117073719
N-(3-fluorocyclopentyl)-4-methylpyridine-3-carboxamide
CID 126785348

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide (CID 56882621) is 4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide is Cc1ncncc1C(=O)N[C@H]1CC[C@H](Nc2nccc(-c3ccncc3)n2)C1.
What is the InChIKey of 4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide?
The InChIKey is FHBKVUQROTWNNP-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13-17(11-22-12-24-13)19(28)25-15-2-3-16(10-15)26-20-23-9-6-18(27-20)14-4-7-21-8-5-14/h4-9,11-12,15-16H,2-3,10H2,1H3,(H,25,28)(H,23,26,27)/t15-,16-/m0/s1.
What are the key properties of 4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide?
4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 56882621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).