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

C22H27ClN4O2 — CID 67508389

IUPAC1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1-hydroxycyclobutyl)methyl]piperidine-4-carboxamide
SMILESCc1cccnc1-c1cc(N2CCC(C(=O)NCC3(O)CCC3)CC2)ncc1Cl
InChIInChI=1S/C22H27ClN4O2/c1-15-4-2-9-24-20(15)17-12-19(25-13-18(17)23)27-10-5-16(6-11-27)21(28)26-14-22(29)7-3-8-22/h2,4,9,12-13,16,29H,3,5-8,10-11,14H2,1H3,(H,26,28)
InChIKeySUZRODZAHZGKMX-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.35
Rot. Bonds5

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

1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1-hydroxycyclobutyl)methyl]piperidine-4-carboxamide (PubChem CID 67508389) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1-hydroxycyclobutyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1-hydroxycyclobutyl)methyl]piperidine-4-carboxamide
PubChem CID67508389
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1-hydroxycyclobutyl)methyl]piperidine-4-carboxamide
SMILESCc1cccnc1-c1cc(N2CCC(C(=O)NCC3(O)CCC3)CC2)ncc1Cl
InChIInChI=1S/C22H27ClN4O2/c1-15-4-2-9-24-20(15)17-12-19(25-13-18(17)23)27-10-5-16(6-11-27)21(28)26-14-22(29)7-3-8-22/h2,4,9,12-13,16,29H,3,5-8,10-11,14H2,1H3,(H,26,28)
InChIKeySUZRODZAHZGKMX-UHFFFAOYSA-N
XLogP3.35
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.35
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-[(1-hydroxycyclobutyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1-hydroxycyclobutyl)methyl]piperidine-4-carboxamide (CID 67508389) is 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1-hydroxycyclobutyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1-hydroxycyclobutyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1-hydroxycyclobutyl)methyl]piperidine-4-carboxamide is Cc1cccnc1-c1cc(N2CCC(C(=O)NCC3(O)CCC3)CC2)ncc1Cl.
What is the InChIKey of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1-hydroxycyclobutyl)methyl]piperidine-4-carboxamide?
The InChIKey is SUZRODZAHZGKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-15-4-2-9-24-20(15)17-12-19(25-13-18(17)23)27-10-5-16(6-11-27)21(28)26-14-22(29)7-3-8-22/h2,4,9,12-13,16,29H,3,5-8,10-11,14H2,1H3,(H,26,28).
What are the key properties of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1-hydroxycyclobutyl)methyl]piperidine-4-carboxamide?
1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1-hydroxycyclobutyl)methyl]piperidine-4-carboxamide has a molecular weight of 414.94 g/mol, XLogP of 3.35, 5 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-[(1-hydroxycyclobutyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 67508389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).