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

C20H20N6O — CID 56912752

IUPACN-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CC[C@H](Nc2nccc(-c3ccccn3)n2)C1)c1ccncc1
InChIInChI=1S/C20H20N6O/c27-19(14-6-10-21-11-7-14)24-15-4-5-16(13-15)25-20-23-12-8-18(26-20)17-3-1-2-9-22-17/h1-3,6-12,15-16H,4-5,13H2,(H,24,27)(H,23,25,26)/t15-,16-/m0/s1
InChIKeyMKAIITSSPJLXEL-HOTGVXAUSA-N
MW360.42 g/mol
LogP2.70
Rot. Bonds5

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

N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-4-carboxamide (PubChem CID 56912752) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-4-carboxamide
PubChem CID56912752
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CC[C@H](Nc2nccc(-c3ccccn3)n2)C1)c1ccncc1
InChIInChI=1S/C20H20N6O/c27-19(14-6-10-21-11-7-14)24-15-4-5-16(13-15)25-20-23-12-8-18(26-20)17-3-1-2-9-22-17/h1-3,6-12,15-16H,4-5,13H2,(H,24,27)(H,23,25,26)/t15-,16-/m0/s1
InChIKeyMKAIITSSPJLXEL-HOTGVXAUSA-N
XLogP2.70
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-cyclopentyl-4-pyridin-2-ylpyrimidin-2-amine
CID 14347203
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
6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide
CID 56891500
N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]pyridine-4-carboxamide
CID 124760013
3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide
CID 56884150
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-[(1R,3R)-3-fluorocyclopentyl]pyridine-4-carboxamide
CID 129348302
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-piperidin-4-yl-4-pyridin-2-ylpyrimidine-2-carboxamide
CID 175910365
N-cyclopropyl-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 4107604
furan-2-yl-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 74239566

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-4-carboxamide (CID 56912752) is N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-4-carboxamide is O=C(N[C@H]1CC[C@H](Nc2nccc(-c3ccccn3)n2)C1)c1ccncc1.
What is the InChIKey of N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-4-carboxamide?
The InChIKey is MKAIITSSPJLXEL-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H20N6O/c27-19(14-6-10-21-11-7-14)24-15-4-5-16(13-15)25-20-23-12-8-18(26-20)17-3-1-2-9-22-17/h1-3,6-12,15-16H,4-5,13H2,(H,24,27)(H,23,25,26)/t15-,16-/m0/s1.
What are the key properties of N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-4-carboxamide?
N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 56912752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).