(2R)-4-(4-cyclopentylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide

C20H26N6O — CID 95728177

IUPAC(2R)-4-(4-cyclopentylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide
SMILESO=C(NCc1cccnc1)[C@H]1CN(c2nccc(C3CCCC3)n2)CCN1
InChIInChI=1S/C20H26N6O/c27-19(24-13-15-4-3-8-21-12-15)18-14-26(11-10-22-18)20-23-9-7-17(25-20)16-5-1-2-6-16/h3-4,7-9,12,16,18,22H,1-2,5-6,10-11,13-14H2,(H,24,27)/t18-/m1/s1
InChIKeySBJFBXLPNIUTIY-GOSISDBHSA-N
MW366.47 g/mol
LogP1.62
Rot. Bonds5

About (2R)-4-(4-cyclopentylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide

(2R)-4-(4-cyclopentylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide (PubChem CID 95728177) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is (2R)-4-(4-cyclopentylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(4-cyclopentylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide
PubChem CID95728177
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name(2R)-4-(4-cyclopentylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide
SMILESO=C(NCc1cccnc1)[C@H]1CN(c2nccc(C3CCCC3)n2)CCN1
InChIInChI=1S/C20H26N6O/c27-19(24-13-15-4-3-8-21-12-15)18-14-26(11-10-22-18)20-23-9-7-17(25-20)16-5-1-2-6-16/h3-4,7-9,12,16,18,22H,1-2,5-6,10-11,13-14H2,(H,24,27)/t18-/m1/s1
InChIKeySBJFBXLPNIUTIY-GOSISDBHSA-N
XLogP1.62
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide
CID 95711110
N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide
CID 82906473
1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3590836
(3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95552295
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 60506834
N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56868752
6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 95825804
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
(3S)-1-[1-[4-(ethylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95463438
4-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 56883812
1-(2-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53146183

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-cyclopentylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-4-(4-cyclopentylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide (CID 95728177) is (2R)-4-(4-cyclopentylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-(4-cyclopentylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-4-(4-cyclopentylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide is O=C(NCc1cccnc1)[C@H]1CN(c2nccc(C3CCCC3)n2)CCN1.
What is the InChIKey of (2R)-4-(4-cyclopentylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide?
The InChIKey is SBJFBXLPNIUTIY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N6O/c27-19(24-13-15-4-3-8-21-12-15)18-14-26(11-10-22-18)20-23-9-7-17(25-20)16-5-1-2-6-16/h3-4,7-9,12,16,18,22H,1-2,5-6,10-11,13-14H2,(H,24,27)/t18-/m1/s1.
What are the key properties of (2R)-4-(4-cyclopentylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide?
(2R)-4-(4-cyclopentylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-cyclopentylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 95728177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).