N,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide

C21H30N2O — CID 57339501

IUPACN,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide
SMILESO=C(c1cccc(C2CC2)n1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H30N2O/c24-21(20-13-7-12-19(22-20)16-14-15-16)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h7,12-13,16-18H,1-6,8-11,14-15H2
InChIKeyNFWIPTLZNIEMBB-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.07
Rot. Bonds4

About N,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide

N,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide (PubChem CID 57339501) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide
PubChem CID57339501
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide
SMILESO=C(c1cccc(C2CC2)n1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H30N2O/c24-21(20-13-7-12-19(22-20)16-14-15-16)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h7,12-13,16-18H,1-6,8-11,14-15H2
InChIKeyNFWIPTLZNIEMBB-UHFFFAOYSA-N
XLogP5.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide?
The IUPAC name of N,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide (CID 57339501) is N,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide is O=C(c1cccc(C2CC2)n1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide?
The InChIKey is NFWIPTLZNIEMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c24-21(20-13-7-12-19(22-20)16-14-15-16)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h7,12-13,16-18H,1-6,8-11,14-15H2.
What are the key properties of N,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide?
N,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide has a molecular weight of 326.48 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 57339501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).