2-[2-(oxan-4-ylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide

C20H26N6O2 — CID 46901385

IUPAC2-[2-(oxan-4-ylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(NC3CCOCC3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C20H26N6O2/c21-20(27)15-11-17(25-19(13-15)26-7-5-22-6-8-26)14-1-4-23-18(12-14)24-16-2-9-28-10-3-16/h1,4,11-13,16,22H,2-3,5-10H2,(H2,21,27)(H,23,24)
InChIKeyYKWMQNUCOUUHQO-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.24
Rot. Bonds5

About 2-[2-(oxan-4-ylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide

2-[2-(oxan-4-ylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide (PubChem CID 46901385) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[2-(oxan-4-ylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(oxan-4-ylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
PubChem CID46901385
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name2-[2-(oxan-4-ylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(NC3CCOCC3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C20H26N6O2/c21-20(27)15-11-17(25-19(13-15)26-7-5-22-6-8-26)14-1-4-23-18(12-14)24-16-2-9-28-10-3-16/h1,4,11-13,16,22H,2-3,5-10H2,(H2,21,27)(H,23,24)
InChIKeyYKWMQNUCOUUHQO-UHFFFAOYSA-N
XLogP1.24
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-4-ylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide?
The IUPAC name of 2-[2-(oxan-4-ylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide (CID 46901385) is 2-[2-(oxan-4-ylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(oxan-4-ylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide?
The canonical SMILES for 2-[2-(oxan-4-ylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide is NC(=O)c1cc(-c2ccnc(NC3CCOCC3)c2)nc(N2CCNCC2)c1.
What is the InChIKey of 2-[2-(oxan-4-ylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide?
The InChIKey is YKWMQNUCOUUHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c21-20(27)15-11-17(25-19(13-15)26-7-5-22-6-8-26)14-1-4-23-18(12-14)24-16-2-9-28-10-3-16/h1,4,11-13,16,22H,2-3,5-10H2,(H2,21,27)(H,23,24).
What are the key properties of 2-[2-(oxan-4-ylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide?
2-[2-(oxan-4-ylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-ylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 46901385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).