(3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide

C22H23ClN6O — CID 67221821

IUPAC(3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cccc(NCc3ccncc3)n2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C22H23ClN6O/c23-18-14-27-21(29-22(30)16-3-2-8-25-13-16)11-17(18)19-4-1-5-20(28-19)26-12-15-6-9-24-10-7-15/h1,4-7,9-11,14,16,25H,2-3,8,12-13H2,(H,26,28)(H,27,29,30)/t16-/m1/s1
InChIKeyOXQCHCVQATVHBY-MRXNPFEDSA-N
MW422.92 g/mol
LogP3.74
Rot. Bonds6

About (3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide

(3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 67221821) has the molecular formula C22H23ClN6O and a molecular weight of 422.92 g/mol. Its IUPAC name is (3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID67221821
Molecular FormulaC22H23ClN6O
Molecular Weight422.92 g/mol
Exact Mass422.16
IUPAC Name(3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cccc(NCc3ccncc3)n2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C22H23ClN6O/c23-18-14-27-21(29-22(30)16-3-2-8-25-13-16)11-17(18)19-4-1-5-20(28-19)26-12-15-6-9-24-10-7-15/h1,4-7,9-11,14,16,25H,2-3,8,12-13H2,(H,26,28)(H,27,29,30)/t16-/m1/s1
InChIKeyOXQCHCVQATVHBY-MRXNPFEDSA-N
XLogP3.74
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 77242911
5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine
CID 70793949
N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 77407686
N-[5-chloro-4-[6-[[(2R,6S)-2,6-dimethyloxan-4-yl]methylamino]-2-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide
CID 67221380
(3S)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 67033459
N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 50991962
5-chloro-4-[6-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 70795260
N-[5-chloro-4-[4-[(4-methyloxan-4-yl)methylamino]pyrimidin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 123465542
6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 110271375
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 77201397
tert-butyl (3R)-3-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 67043985
N-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide
CID 72661282

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide (CID 67221821) is (3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide is O=C(Nc1cc(-c2cccc(NCc3ccncc3)n2)c(Cl)cn1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is OXQCHCVQATVHBY-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23ClN6O/c23-18-14-27-21(29-22(30)16-3-2-8-25-13-16)11-17(18)19-4-1-5-20(28-19)26-12-15-6-9-24-10-7-15/h1,4-7,9-11,14,16,25H,2-3,8,12-13H2,(H,26,28)(H,27,29,30)/t16-/m1/s1.
What are the key properties of (3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
(3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 3.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 67221821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).