N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide

C26H24FN5O2 — CID 118212349

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1ccnc(Cc2ccc(Cc3cc(F)c[nH]c3=O)cc2)c1
InChIInChI=1S/C26H24FN5O2/c1-16-20(6-7-24(28)32-16)14-30-25(33)19-8-9-29-23(13-19)11-18-4-2-17(3-5-18)10-21-12-22(27)15-31-26(21)34/h2-9,12-13,15H,10-11,14H2,1H3,(H2,28,32)(H,30,33)(H,31,34)
InChIKeyIESSPAQAGWITNW-UHFFFAOYSA-N
MW457.51 g/mol
LogP3.31
Rot. Bonds7

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide (PubChem CID 118212349) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide
PubChem CID118212349
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1ccnc(Cc2ccc(Cc3cc(F)c[nH]c3=O)cc2)c1
InChIInChI=1S/C26H24FN5O2/c1-16-20(6-7-24(28)32-16)14-30-25(33)19-8-9-29-23(13-19)11-18-4-2-17(3-5-18)10-21-12-22(27)15-31-26(21)34/h2-9,12-13,15H,10-11,14H2,1H3,(H2,28,32)(H,30,33)(H,31,34)
InChIKeyIESSPAQAGWITNW-UHFFFAOYSA-N
XLogP3.31
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
CID 160509135
N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118213222
N-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]methyl]-2-[[3-methylsulfonyl-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide
CID 118213181
6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-cyanoquinoline-8-carboxamide
CID 146326177
N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[[3-methylsulfonyl-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide
CID 118212586
N-[(8-aminoquinolin-3-yl)methyl]-2-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide
CID 118212715
5-(aminomethyl)-6-methylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;bis(methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate);hydrochloride
CID 160730229
N-[(6-amino-4-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118212194
2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 114326448
5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine
CID 118669054
N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118665420
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[[6-(methylaminomethyl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 144881115

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide (CID 118212349) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide is Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2ccc(Cc3cc(F)c[nH]c3=O)cc2)c1.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is IESSPAQAGWITNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c1-16-20(6-7-24(28)32-16)14-30-25(33)19-8-9-29-23(13-19)11-18-4-2-17(3-5-18)10-21-12-22(27)15-31-26(21)34/h2-9,12-13,15H,10-11,14H2,1H3,(H2,28,32)(H,30,33)(H,31,34).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118212349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).