N-[(3R)-1-acetylpiperidin-3-yl]-6-[8-(2-cyanopropylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide

C28H31N5O3 — CID 166914661

IUPACN-[(3R)-1-acetylpiperidin-3-yl]-6-[8-(2-cyanopropylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide
SMILESCOc1ccc2ccc(-c3cccc(C(=O)N[C@@H]4CCCN(C(C)=O)C4)n3)cc2c1NCC(C)C#N
InChIInChI=1S/C28H31N5O3/c1-18(15-29)16-30-27-23-14-21(10-9-20(23)11-12-26(27)36-3)24-7-4-8-25(32-24)28(35)31-22-6-5-13-33(17-22)19(2)34/h4,7-12,14,18,22,30H,5-6,13,16-17H2,1-3H3,(H,31,35)/t18?,22-/m1/s1
InChIKeyOLWCOQIWUXBPDY-LMNIDFBRSA-N
MW485.59 g/mol
LogP4.22
Rot. Bonds7

About N-[(3R)-1-acetylpiperidin-3-yl]-6-[8-(2-cyanopropylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide

N-[(3R)-1-acetylpiperidin-3-yl]-6-[8-(2-cyanopropylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide (PubChem CID 166914661) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[(3R)-1-acetylpiperidin-3-yl]-6-[8-(2-cyanopropylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-acetylpiperidin-3-yl]-6-[8-(2-cyanopropylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide
PubChem CID166914661
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC NameN-[(3R)-1-acetylpiperidin-3-yl]-6-[8-(2-cyanopropylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide
SMILESCOc1ccc2ccc(-c3cccc(C(=O)N[C@@H]4CCCN(C(C)=O)C4)n3)cc2c1NCC(C)C#N
InChIInChI=1S/C28H31N5O3/c1-18(15-29)16-30-27-23-14-21(10-9-20(23)11-12-26(27)36-3)24-7-4-8-25(32-24)28(35)31-22-6-5-13-33(17-22)19(2)34/h4,7-12,14,18,22,30H,5-6,13,16-17H2,1-3H3,(H,31,35)/t18?,22-/m1/s1
InChIKeyOLWCOQIWUXBPDY-LMNIDFBRSA-N
XLogP4.22
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carboxamide
CID 162527733
6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-[(3S)-1-methylpiperidin-3-yl]pyridine-2-carboxamide
CID 162527301
N-[(1R,3R)-3-acetamidocyclohexyl]-6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide
CID 166914815
6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-[1-(3-methoxypropanoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 162526715
6-[8-(2-cyanoprop-2-enylamino)-7-methoxynaphthalen-2-yl]-N-(1-methyl-2-oxopiperidin-4-yl)pyridine-2-carboxamide
CID 162527594
6-(8-aminonaphthalen-2-yl)-N-cyclohexylpyridine-2-carboxamide
CID 162527396
6-[7-chloro-8-(prop-2-enoylamino)naphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 162527086
2-[8-(2-cyanoprop-2-enylamino)-7-propan-2-yloxynaphthalen-2-yl]-N-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide
CID 162528122
N-cyclopropyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide
CID 109093879
6-methyl-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide
CID 47344489
6-[4-(cyclopropylcarbamoyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 117080606
N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide
CID 62234754

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-acetylpiperidin-3-yl]-6-[8-(2-cyanopropylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(3R)-1-acetylpiperidin-3-yl]-6-[8-(2-cyanopropylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide (CID 166914661) is N-[(3R)-1-acetylpiperidin-3-yl]-6-[8-(2-cyanopropylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-acetylpiperidin-3-yl]-6-[8-(2-cyanopropylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-1-acetylpiperidin-3-yl]-6-[8-(2-cyanopropylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide is COc1ccc2ccc(-c3cccc(C(=O)N[C@@H]4CCCN(C(C)=O)C4)n3)cc2c1NCC(C)C#N.
What is the InChIKey of N-[(3R)-1-acetylpiperidin-3-yl]-6-[8-(2-cyanopropylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide?
The InChIKey is OLWCOQIWUXBPDY-LMNIDFBRSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-18(15-29)16-30-27-23-14-21(10-9-20(23)11-12-26(27)36-3)24-7-4-8-25(32-24)28(35)31-22-6-5-13-33(17-22)19(2)34/h4,7-12,14,18,22,30H,5-6,13,16-17H2,1-3H3,(H,31,35)/t18?,22-/m1/s1.
What are the key properties of N-[(3R)-1-acetylpiperidin-3-yl]-6-[8-(2-cyanopropylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide?
N-[(3R)-1-acetylpiperidin-3-yl]-6-[8-(2-cyanopropylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-acetylpiperidin-3-yl]-6-[8-(2-cyanopropylamino)-7-methoxynaphthalen-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 166914661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).