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

C19H19ClN6O — CID 154653640

IUPAC1-[6-[[(1S,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
SMILESO=c1ccccn1-c1ccc(N[C@H]2CC[C@H](Nc3ncc(Cl)cn3)C2)nc1
InChIInChI=1S/C19H19ClN6O/c20-13-10-22-19(23-11-13)25-15-5-4-14(9-15)24-17-7-6-16(12-21-17)26-8-2-1-3-18(26)27/h1-3,6-8,10-12,14-15H,4-5,9H2,(H,21,24)(H,22,23,25)/t14-,15-/m0/s1
InChIKeyMONCSLBNMBXWBY-GJZGRUSLSA-N
MW382.86 g/mol
LogP3.12
Rot. Bonds5

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

1-[6-[[(1S,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one (PubChem CID 154653640) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is 1-[6-[[(1S,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name1-[6-[[(1S,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
PubChem CID154653640
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name1-[6-[[(1S,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
SMILESO=c1ccccn1-c1ccc(N[C@H]2CC[C@H](Nc3ncc(Cl)cn3)C2)nc1
InChIInChI=1S/C19H19ClN6O/c20-13-10-22-19(23-11-13)25-15-5-4-14(9-15)24-17-7-6-16(12-21-17)26-8-2-1-3-18(26)27/h1-3,6-8,10-12,14-15H,4-5,9H2,(H,21,24)(H,22,23,25)/t14-,15-/m0/s1
InChIKeyMONCSLBNMBXWBY-GJZGRUSLSA-N
XLogP3.12
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 53.12
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-chloropyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?
The IUPAC name of 1-[6-[[(1S,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one (CID 154653640) is 1-[6-[[(1S,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 1-[6-[[(1S,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 1-[6-[[(1S,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one is O=c1ccccn1-c1ccc(N[C@H]2CC[C@H](Nc3ncc(Cl)cn3)C2)nc1.
What is the InChIKey of 1-[6-[[(1S,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?
The InChIKey is MONCSLBNMBXWBY-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H19ClN6O/c20-13-10-22-19(23-11-13)25-15-5-4-14(9-15)24-17-7-6-16(12-21-17)26-8-2-1-3-18(26)27/h1-3,6-8,10-12,14-15H,4-5,9H2,(H,21,24)(H,22,23,25)/t14-,15-/m0/s1.
What are the key properties of 1-[6-[[(1S,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?
1-[6-[[(1S,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one has a molecular weight of 382.86 g/mol, XLogP of 3.12, 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-chloropyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 154653640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).