N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide

C16H15N5O2 — CID 97209998

IUPACN-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESC[C@@H](c1ccon1)N(C)C(=O)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C16H15N5O2/c1-11(14-5-8-23-20-14)21(2)16(22)13-9-18-15(19-10-13)12-3-6-17-7-4-12/h3-11H,1-2H3/t11-/m0/s1
InChIKeySTOQFJKNQXBZQM-NSHDSACASA-N
MW309.33 g/mol
LogP2.36
Rot. Bonds4

About N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide

N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 97209998) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID97209998
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESC[C@@H](c1ccon1)N(C)C(=O)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C16H15N5O2/c1-11(14-5-8-23-20-14)21(2)16(22)13-9-18-15(19-10-13)12-3-6-17-7-4-12/h3-11H,1-2H3/t11-/m0/s1
InChIKeySTOQFJKNQXBZQM-NSHDSACASA-N
XLogP2.36
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-anilino-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 72911581
3-(2-aminoethoxy)-N,4-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 118793692
3-(2-aminoethoxy)-N,4-dimethyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 126452166
N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 95136559
N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 99933009
N-methyl-4-[(5-methyltetrazol-1-yl)methyl]-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 119068130
4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide
CID 122565737
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97116777
3-(cyclopentanecarbonylamino)-N,4-dimethyl-N-[1-(1,2-oxazol-3-yl)ethyl]benzamide
CID 50980547
N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 109388553
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015
N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 97122025

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide (CID 97209998) is N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide is C[C@@H](c1ccon1)N(C)C(=O)c1cnc(-c2ccncc2)nc1.
What is the InChIKey of N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is STOQFJKNQXBZQM-NSHDSACASA-N. The full InChI is InChI=1S/C16H15N5O2/c1-11(14-5-8-23-20-14)21(2)16(22)13-9-18-15(19-10-13)12-3-6-17-7-4-12/h3-11H,1-2H3/t11-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 97209998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).