1-[6-[[(1S,3S)-3-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one

C20H22N6O — CID 154653442

IUPAC1-[6-[[(1S,3S)-3-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
SMILESCc1cnc(N[C@H]2CC[C@H](Nc3ccc(-n4ccccc4=O)cn3)C2)nc1
InChIInChI=1S/C20H22N6O/c1-14-11-22-20(23-12-14)25-16-6-5-15(10-16)24-18-8-7-17(13-21-18)26-9-3-2-4-19(26)27/h2-4,7-9,11-13,15-16H,5-6,10H2,1H3,(H,21,24)(H,22,23,25)/t15-,16-/m0/s1
InChIKeyMCMBQIZWKVGERC-HOTGVXAUSA-N
MW362.44 g/mol
LogP2.78
Rot. Bonds5

About 1-[6-[[(1S,3S)-3-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one

1-[6-[[(1S,3S)-3-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one (PubChem CID 154653442) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-[6-[[(1S,3S)-3-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name1-[6-[[(1S,3S)-3-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
PubChem CID154653442
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1-[6-[[(1S,3S)-3-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
SMILESCc1cnc(N[C@H]2CC[C@H](Nc3ccc(-n4ccccc4=O)cn3)C2)nc1
InChIInChI=1S/C20H22N6O/c1-14-11-22-20(23-12-14)25-16-6-5-15(10-16)24-18-8-7-17(13-21-18)26-9-3-2-4-19(26)27/h2-4,7-9,11-13,15-16H,5-6,10H2,1H3,(H,21,24)(H,22,23,25)/t15-,16-/m0/s1
InChIKeyMCMBQIZWKVGERC-HOTGVXAUSA-N
XLogP2.78
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(1S,3S)-3-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?
The IUPAC name of 1-[6-[[(1S,3S)-3-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one (CID 154653442) is 1-[6-[[(1S,3S)-3-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 1-[6-[[(1S,3S)-3-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 1-[6-[[(1S,3S)-3-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one is Cc1cnc(N[C@H]2CC[C@H](Nc3ccc(-n4ccccc4=O)cn3)C2)nc1.
What is the InChIKey of 1-[6-[[(1S,3S)-3-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?
The InChIKey is MCMBQIZWKVGERC-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-11-22-20(23-12-14)25-16-6-5-15(10-16)24-18-8-7-17(13-21-18)26-9-3-2-4-19(26)27/h2-4,7-9,11-13,15-16H,5-6,10H2,1H3,(H,21,24)(H,22,23,25)/t15-,16-/m0/s1.
What are the key properties of 1-[6-[[(1S,3S)-3-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?
1-[6-[[(1S,3S)-3-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one has a molecular weight of 362.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(1S,3S)-3-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 154653442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).