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

C19H21N7O — CID 56884150

IUPAC3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)N[C@H]1CC[C@H](Nc2nccc(-c3cccnc3)n2)C1
InChIInChI=1S/C19H21N7O/c1-26-12-21-11-17(26)18(27)23-14-4-5-15(9-14)24-19-22-8-6-16(25-19)13-3-2-7-20-10-13/h2-3,6-8,10-12,14-15H,4-5,9H2,1H3,(H,23,27)(H,22,24,25)/t14-,15-/m0/s1
InChIKeyFXDNKQDACLAEQQ-GJZGRUSLSA-N
MW363.43 g/mol
LogP2.04
Rot. Bonds5

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

3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide (PubChem CID 56884150) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide
PubChem CID56884150
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)N[C@H]1CC[C@H](Nc2nccc(-c3cccnc3)n2)C1
InChIInChI=1S/C19H21N7O/c1-26-12-21-11-17(26)18(27)23-14-4-5-15(9-14)24-19-22-8-6-16(25-19)13-3-2-7-20-10-13/h2-3,6-8,10-12,14-15H,4-5,9H2,1H3,(H,23,27)(H,22,24,25)/t14-,15-/m0/s1
InChIKeyFXDNKQDACLAEQQ-GJZGRUSLSA-N
XLogP2.04
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide (CID 56884150) is 3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide is Cn1cncc1C(=O)N[C@H]1CC[C@H](Nc2nccc(-c3cccnc3)n2)C1.
What is the InChIKey of 3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide?
The InChIKey is FXDNKQDACLAEQQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H21N7O/c1-26-12-21-11-17(26)18(27)23-14-4-5-15(9-14)24-19-22-8-6-16(25-19)13-3-2-7-20-10-13/h2-3,6-8,10-12,14-15H,4-5,9H2,1H3,(H,23,27)(H,22,24,25)/t14-,15-/m0/s1.
What are the key properties of 3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide?
3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide is sourced from PubChem (CID 56884150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).