1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C22H30N6O2 — CID 133453880

IUPAC1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(c2cc(N3CCCC(CO)C3)ncn2)CC1
InChIInChI=1S/C22H30N6O2/c29-15-18-4-2-8-28(14-18)21-11-20(25-16-26-21)27-9-5-19(6-10-27)22(30)24-13-17-3-1-7-23-12-17/h1,3,7,11-12,16,18-19,29H,2,4-6,8-10,13-15H2,(H,24,30)
InChIKeyFIGHQRAQCONEQA-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.61
Rot. Bonds6

About 1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 133453880) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID133453880
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(c2cc(N3CCCC(CO)C3)ncn2)CC1
InChIInChI=1S/C22H30N6O2/c29-15-18-4-2-8-28(14-18)21-11-20(25-16-26-21)27-9-5-19(6-10-27)22(30)24-13-17-3-1-7-23-12-17/h1,3,7,11-12,16,18-19,29H,2,4-6,8-10,13-15H2,(H,24,30)
InChIKeyFIGHQRAQCONEQA-UHFFFAOYSA-N
XLogP1.61
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(6-phenylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90518966
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 120963862
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90519455
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 53174462
1-(2-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53146183
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 133305541
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053589
1-(2-chloro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453933
1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133329016
(3S)-1-(6-methoxypyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 97496309

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 133453880) is 1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccnc1)C1CCN(c2cc(N3CCCC(CO)C3)ncn2)CC1.
What is the InChIKey of 1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is FIGHQRAQCONEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c29-15-18-4-2-8-28(14-18)21-11-20(25-16-26-21)27-9-5-19(6-10-27)22(30)24-13-17-3-1-7-23-12-17/h1,3,7,11-12,16,18-19,29H,2,4-6,8-10,13-15H2,(H,24,30).
What are the key properties of 1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 133453880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).