N-[(2S)-2-methoxypropyl]-N-methyl-2-pyrimidin-5-ylpyridine-4-carboxamide

C15H18N4O2 — CID 125015439

IUPACN-[(2S)-2-methoxypropyl]-N-methyl-2-pyrimidin-5-ylpyridine-4-carboxamide
SMILESCO[C@@H](C)CN(C)C(=O)c1ccnc(-c2cncnc2)c1
InChIInChI=1S/C15H18N4O2/c1-11(21-3)9-19(2)15(20)12-4-5-18-14(6-12)13-7-16-10-17-8-13/h4-8,10-11H,9H2,1-3H3/t11-/m0/s1
InChIKeyWTRNCGWEKWGGES-NSHDSACASA-N
MW286.33 g/mol
LogP1.65
Rot. Bonds5

About N-[(2S)-2-methoxypropyl]-N-methyl-2-pyrimidin-5-ylpyridine-4-carboxamide

N-[(2S)-2-methoxypropyl]-N-methyl-2-pyrimidin-5-ylpyridine-4-carboxamide (PubChem CID 125015439) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(2S)-2-methoxypropyl]-N-methyl-2-pyrimidin-5-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxypropyl]-N-methyl-2-pyrimidin-5-ylpyridine-4-carboxamide
PubChem CID125015439
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[(2S)-2-methoxypropyl]-N-methyl-2-pyrimidin-5-ylpyridine-4-carboxamide
SMILESCO[C@@H](C)CN(C)C(=O)c1ccnc(-c2cncnc2)c1
InChIInChI=1S/C15H18N4O2/c1-11(21-3)9-19(2)15(20)12-4-5-18-14(6-12)13-7-16-10-17-8-13/h4-8,10-11H,9H2,1-3H3/t11-/m0/s1
InChIKeyWTRNCGWEKWGGES-NSHDSACASA-N
XLogP1.65
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide
CID 61293660
N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 166200011
2-(4-ethylphenyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 90700287
N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide
CID 62876403
N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-carboxamide
CID 104627104
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 114325623
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,2-dimethylpyridine-4-carboxamide
CID 106753000
2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 80710277
5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 112754436
N-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide
CID 3340367
2-fluoro-N-[1-[(2-fluoropyridine-4-carbonyl)-methylamino]-4-methylpentan-2-yl]pyridine-4-carboxamide
CID 75392728
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 61293111

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxypropyl]-N-methyl-2-pyrimidin-5-ylpyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-methoxypropyl]-N-methyl-2-pyrimidin-5-ylpyridine-4-carboxamide (CID 125015439) is N-[(2S)-2-methoxypropyl]-N-methyl-2-pyrimidin-5-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-methoxypropyl]-N-methyl-2-pyrimidin-5-ylpyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-methoxypropyl]-N-methyl-2-pyrimidin-5-ylpyridine-4-carboxamide is CO[C@@H](C)CN(C)C(=O)c1ccnc(-c2cncnc2)c1.
What is the InChIKey of N-[(2S)-2-methoxypropyl]-N-methyl-2-pyrimidin-5-ylpyridine-4-carboxamide?
The InChIKey is WTRNCGWEKWGGES-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11(21-3)9-19(2)15(20)12-4-5-18-14(6-12)13-7-16-10-17-8-13/h4-8,10-11H,9H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[(2S)-2-methoxypropyl]-N-methyl-2-pyrimidin-5-ylpyridine-4-carboxamide?
N-[(2S)-2-methoxypropyl]-N-methyl-2-pyrimidin-5-ylpyridine-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxypropyl]-N-methyl-2-pyrimidin-5-ylpyridine-4-carboxamide is sourced from PubChem (CID 125015439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).