2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine

C24H39N5O3 — CID 160968052

IUPAC2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine
SMILESCC.CC.CN.NC(=O)c1ccc(-c2cnc(N)c(C(=O)NC3CCC(O)CC3)c2)cc1
InChIInChI=1S/C19H22N4O3.2C2H6.CH5N/c20-17-16(19(26)23-14-5-7-15(24)8-6-14)9-13(10-22-17)11-1-3-12(4-2-11)18(21)25;3*1-2/h1-4,9-10,14-15,24H,5-8H2,(H2,20,22)(H2,21,25)(H,23,26);2*1-2H3;2H2,1H3
InChIKeySXWPKCCNXHIQGD-UHFFFAOYSA-N
MW445.61 g/mol
LogP3.09
Rot. Bonds4

About 2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine

2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine (PubChem CID 160968052) has the molecular formula C24H39N5O3 and a molecular weight of 445.61 g/mol. Its IUPAC name is 2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine.

Molecular Properties

Compound Name2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine
PubChem CID160968052
Molecular FormulaC24H39N5O3
Molecular Weight445.61 g/mol
Exact Mass445.31
IUPAC Name2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine
SMILESCC.CC.CN.NC(=O)c1ccc(-c2cnc(N)c(C(=O)NC3CCC(O)CC3)c2)cc1
InChIInChI=1S/C19H22N4O3.2C2H6.CH5N/c20-17-16(19(26)23-14-5-7-15(24)8-6-14)9-13(10-22-17)11-1-3-12(4-2-11)18(21)25;3*1-2/h1-4,9-10,14-15,24H,5-8H2,(H2,20,22)(H2,21,25)(H,23,26);2*1-2H3;2H2,1H3
InChIKeySXWPKCCNXHIQGD-UHFFFAOYSA-N
XLogP3.09
TPSA157.35 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 53.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(4-methylcyclohexyl)-5-phenylpyridine-3-carboxamide
CID 134202942
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[(3R,4S)-1-(2-methoxyethyl)-4-methylpyrrolidin-3-yl]phenyl]pyridine-3-carboxamide
CID 155136660
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3-methyloxiran-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 172689518
2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 138628942
2-amino-5-[4-[(1R)-3-(1,3-difluoropropan-2-yl)-3-azabicyclo[3.1.0]hex-5-en-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 174338363
6-amino-5-chloro-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62155376
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[(1R,5S)-3-(1-methylsulfonylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 134202950
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 138628971
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[(1S,5R)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 134203046
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[(1R,5S)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 138628954
2-amino-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide;ethane
CID 145445475
2-amino-N-cyclohexyl-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide;ethane
CID 145445440

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine?
The IUPAC name of 2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine (CID 160968052) is 2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine.
What is the SMILES notation for 2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine?
The canonical SMILES for 2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine is CC.CC.CN.NC(=O)c1ccc(-c2cnc(N)c(C(=O)NC3CCC(O)CC3)c2)cc1.
What is the InChIKey of 2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine?
The InChIKey is SXWPKCCNXHIQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3.2C2H6.CH5N/c20-17-16(19(26)23-14-5-7-15(24)8-6-14)9-13(10-22-17)11-1-3-12(4-2-11)18(21)25;3*1-2/h1-4,9-10,14-15,24H,5-8H2,(H2,20,22)(H2,21,25)(H,23,26);2*1-2H3;2H2,1H3.
What are the key properties of 2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine?
2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine has a molecular weight of 445.61 g/mol, XLogP of 3.09, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine is sourced from PubChem (CID 160968052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).