N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide

C16H25N3O — CID 79122871

IUPACN-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide
SMILESCCCNC1CCC(N(C)C(=O)c2ccncc2)CC1
InChIInChI=1S/C16H25N3O/c1-3-10-18-14-4-6-15(7-5-14)19(2)16(20)13-8-11-17-12-9-13/h8-9,11-12,14-15,18H,3-7,10H2,1-2H3
InChIKeyLZAGKCWUJHRSJB-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.46
Rot. Bonds5

About N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide

N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide (PubChem CID 79122871) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide
PubChem CID79122871
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide
SMILESCCCNC1CCC(N(C)C(=O)c2ccncc2)CC1
InChIInChI=1S/C16H25N3O/c1-3-10-18-14-4-6-15(7-5-14)19(2)16(20)13-8-11-17-12-9-13/h8-9,11-12,14-15,18H,3-7,10H2,1-2H3
InChIKeyLZAGKCWUJHRSJB-UHFFFAOYSA-N
XLogP2.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-3-carboxamide
CID 79122946
N,3-dimethyl-N-[4-(propylamino)cyclohexyl]furan-2-carboxamide
CID 79122404
N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 79122945
1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea
CID 79153266
N,2,5-trimethyl-N-[4-(propylamino)cyclohexyl]furan-3-carboxamide
CID 79116538
3-butyl-1-methyl-1-[4-(propylamino)cyclohexyl]urea
CID 79122872
N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071339
N-methyl-N-[4-(propylamino)cyclohexyl]pentanamide
CID 79122715
N-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide
CID 79119344
1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea
CID 79122790
N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide
CID 79122394
N-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
CID 79116508

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide (CID 79122871) is N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide is CCCNC1CCC(N(C)C(=O)c2ccncc2)CC1.
What is the InChIKey of N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide?
The InChIKey is LZAGKCWUJHRSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-10-18-14-4-6-15(7-5-14)19(2)16(20)13-8-11-17-12-9-13/h8-9,11-12,14-15,18H,3-7,10H2,1-2H3.
What are the key properties of N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide?
N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide is sourced from PubChem (CID 79122871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).