1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide

C23H29ClN4O2 — CID 67507985

IUPAC1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide
SMILESCc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CCCC[C@H]3O)CC2)ncc1Cl
InChIInChI=1S/C23H29ClN4O2/c1-15-5-4-10-25-22(15)17-13-21(26-14-18(17)24)28-11-8-16(9-12-28)23(30)27-19-6-2-3-7-20(19)29/h4-5,10,13-14,16,19-20,29H,2-3,6-9,11-12H2,1H3,(H,27,30)/t19-,20-/m1/s1
InChIKeyNTTNRQXSHZICRR-WOJBJXKFSA-N
MW428.96 g/mol
LogP3.74
Rot. Bonds4

About 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide

1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide (PubChem CID 67507985) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide
PubChem CID67507985
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Name1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide
SMILESCc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CCCC[C@H]3O)CC2)ncc1Cl
InChIInChI=1S/C23H29ClN4O2/c1-15-5-4-10-25-22(15)17-13-21(26-14-18(17)24)28-11-8-16(9-12-28)23(30)27-19-6-2-3-7-20(19)29/h4-5,10,13-14,16,19-20,29H,2-3,6-9,11-12H2,1H3,(H,27,30)/t19-,20-/m1/s1
InChIKeyNTTNRQXSHZICRR-WOJBJXKFSA-N
XLogP3.74
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide (CID 67507985) is 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide is Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CCCC[C@H]3O)CC2)ncc1Cl.
What is the InChIKey of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide?
The InChIKey is NTTNRQXSHZICRR-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-15-5-4-10-25-22(15)17-13-21(26-14-18(17)24)28-11-8-16(9-12-28)23(30)27-19-6-2-3-7-20(19)29/h4-5,10,13-14,16,19-20,29H,2-3,6-9,11-12H2,1H3,(H,27,30)/t19-,20-/m1/s1.
What are the key properties of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide?
1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide has a molecular weight of 428.96 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 67507985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).