N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

C24H31N5O2 — CID 86886899

IUPACN-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ccc(C(=O)Nc3ccccc3CN3CCCC3C(N)=O)cn2)CC1
InChIInChI=1S/C24H31N5O2/c1-17-10-13-28(14-11-17)22-9-8-18(15-26-22)24(31)27-20-6-3-2-5-19(20)16-29-12-4-7-21(29)23(25)30/h2-3,5-6,8-9,15,17,21H,4,7,10-14,16H2,1H3,(H2,25,30)(H,27,31)
InChIKeyYLYXXXJZMGTMQB-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.02
Rot. Bonds6

About N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 86886899) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
PubChem CID86886899
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ccc(C(=O)Nc3ccccc3CN3CCCC3C(N)=O)cn2)CC1
InChIInChI=1S/C24H31N5O2/c1-17-10-13-28(14-11-17)22-9-8-18(15-26-22)24(31)27-20-6-3-2-5-19(20)16-29-12-4-7-21(29)23(25)30/h2-3,5-6,8-9,15,17,21H,4,7,10-14,16H2,1H3,(H2,25,30)(H,27,31)
InChIKeyYLYXXXJZMGTMQB-UHFFFAOYSA-N
XLogP3.02
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109152560
(2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52526979
N-(4-acetamidophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152569
N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160643
6-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109161705
N-(2,5-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152595
N-(2,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152594
N-[3-(aminomethyl)pentan-3-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119569884
N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56548048
N-(2-methoxy-5-methyl-3-pyridinyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 136511798
1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 86950776
N-[(1-hydroxycyclopentyl)methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 111332971

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (CID 86886899) is N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2ccc(C(=O)Nc3ccccc3CN3CCCC3C(N)=O)cn2)CC1.
What is the InChIKey of N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is YLYXXXJZMGTMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-17-10-13-28(14-11-17)22-9-8-18(15-26-22)24(31)27-20-6-3-2-5-19(20)16-29-12-4-7-21(29)23(25)30/h2-3,5-6,8-9,15,17,21H,4,7,10-14,16H2,1H3,(H2,25,30)(H,27,31).
What are the key properties of N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 86886899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).