N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C20H21N5O2 — CID 56747207

IUPACN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2cccnc2N(C)Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C20H21N5O2/c1-14-22-12-17(20(27)24-14)19(26)23-11-16-9-6-10-21-18(16)25(2)13-15-7-4-3-5-8-15/h3-10,12H,11,13H2,1-2H3,(H,23,26)(H,22,24,27)
InChIKeySLSYIOVUTVPWEA-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.04
Rot. Bonds6

About N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 56747207) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID56747207
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2cccnc2N(C)Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C20H21N5O2/c1-14-22-12-17(20(27)24-14)19(26)23-11-16-9-6-10-21-18(16)25(2)13-15-7-4-3-5-8-15/h3-10,12H,11,13H2,1-2H3,(H,23,26)(H,22,24,27)
InChIKeySLSYIOVUTVPWEA-UHFFFAOYSA-N
XLogP2.04
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 56753833
N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide
CID 56738405
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 56741787
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 72936219
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 56752240
2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 42594163
3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide
CID 56760437
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 45253207
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
CID 25303205
(3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide
CID 95223621
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110851794
1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea
CID 45192521

Frequently Asked Questions

What is the IUPAC name of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 56747207) is N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCc2cccnc2N(C)Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is SLSYIOVUTVPWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-22-12-17(20(27)24-14)19(26)23-11-16-9-6-10-21-18(16)25(2)13-15-7-4-3-5-8-15/h3-10,12H,11,13H2,1-2H3,(H,23,26)(H,22,24,27).
What are the key properties of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56747207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).