1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C23H29N5O2 — CID 70721657

IUPAC1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CCCN(C2CCN(C(=O)c3cccnc3)CC2)C1
InChIInChI=1S/C23H29N5O2/c29-22(26-15-18-4-1-9-24-14-18)20-6-3-11-28(17-20)21-7-12-27(13-8-21)23(30)19-5-2-10-25-16-19/h1-2,4-5,9-10,14,16,20-21H,3,6-8,11-13,15,17H2,(H,26,29)
InChIKeyXBZFHGSXKGBIGM-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.11
Rot. Bonds5

About 1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 70721657) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID70721657
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CCCN(C2CCN(C(=O)c3cccnc3)CC2)C1
InChIInChI=1S/C23H29N5O2/c29-22(26-15-18-4-1-9-24-14-18)20-6-3-11-28(17-20)21-7-12-27(13-8-21)23(30)19-5-2-10-25-16-19/h1-2,4-5,9-10,14,16,20-21H,3,6-8,11-13,15,17H2,(H,26,29)
InChIKeyXBZFHGSXKGBIGM-UHFFFAOYSA-N
XLogP2.11
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[1-(pyridazine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95552529
(3R)-1-[1-(3-hydroxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95215208
(3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96575804
(3R)-1-[1-[2-(carbamoylamino)acetyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96574126
N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56868752
(3R)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96573291
(3R)-1-[1-(3-fluoropropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95539325
1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70755941
1-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 56864966
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
(3R)-1-[1-(4-methylpentyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95455862
(3R)-1-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96573564

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 70721657) is 1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccnc1)C1CCCN(C2CCN(C(=O)c3cccnc3)CC2)C1.
What is the InChIKey of 1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is XBZFHGSXKGBIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c29-22(26-15-18-4-1-9-24-14-18)20-6-3-11-28(17-20)21-7-12-27(13-8-21)23(30)19-5-2-10-25-16-19/h1-2,4-5,9-10,14,16,20-21H,3,6-8,11-13,15,17H2,(H,26,29).
What are the key properties of 1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 70721657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).