N-[(1R)-1-cyclohexylethyl]-5-methyl-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide

C21H27N3O2 — CID 58368059

IUPACN-[(1R)-1-cyclohexylethyl]-5-methyl-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)C2CCCCC2)cnc1OCc1ccncc1
InChIInChI=1S/C21H27N3O2/c1-15-12-19(20(25)24-16(2)18-6-4-3-5-7-18)13-23-21(15)26-14-17-8-10-22-11-9-17/h8-13,16,18H,3-7,14H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyLUTDWICOEKLQNP-MRXNPFEDSA-N
MW353.47 g/mol
LogP4.06
Rot. Bonds6

About N-[(1R)-1-cyclohexylethyl]-5-methyl-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide

N-[(1R)-1-cyclohexylethyl]-5-methyl-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide (PubChem CID 58368059) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-5-methyl-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-5-methyl-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide
PubChem CID58368059
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[(1R)-1-cyclohexylethyl]-5-methyl-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)C2CCCCC2)cnc1OCc1ccncc1
InChIInChI=1S/C21H27N3O2/c1-15-12-19(20(25)24-16(2)18-6-4-3-5-7-18)13-23-21(15)26-14-17-8-10-22-11-9-17/h8-13,16,18H,3-7,14H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyLUTDWICOEKLQNP-MRXNPFEDSA-N
XLogP4.06
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide
CID 58368118
N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide
CID 58368095
N-(1-cyclohexylethyl)-5-hydroxypyridine-3-carboxamide
CID 55256172
N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 132516828
N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide
CID 58533707
5-chloro-N-(1-cyclopropylethyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 75415942
N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide
CID 55069124
N-[(1R)-1-cyclobutylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368103
5-cyano-N-[1-[3-[4-[[5-(3,3-dimethylbutylcarbamoyl)-3-methoxy-2-pyridinyl]oxymethyl]-2-fluorophenyl]cyclohexyl]ethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide
CID 123664383
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide
CID 102851926
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide
CID 81392809

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-5-methyl-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-5-methyl-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide (CID 58368059) is N-[(1R)-1-cyclohexylethyl]-5-methyl-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-5-methyl-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-5-methyl-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide is Cc1cc(C(=O)N[C@H](C)C2CCCCC2)cnc1OCc1ccncc1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-5-methyl-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide?
The InChIKey is LUTDWICOEKLQNP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-12-19(20(25)24-16(2)18-6-4-3-5-7-18)13-23-21(15)26-14-17-8-10-22-11-9-17/h8-13,16,18H,3-7,14H2,1-2H3,(H,24,25)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-5-methyl-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide?
N-[(1R)-1-cyclohexylethyl]-5-methyl-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-5-methyl-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 58368059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).