N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide

C17H20N4O2 — CID 95551213

IUPACN-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCN(C[C@@H]1CCCCO1)C(=O)c1cnc(-c2ccccn2)nc1
InChIInChI=1S/C17H20N4O2/c1-21(12-14-6-3-5-9-23-14)17(22)13-10-19-16(20-11-13)15-7-2-4-8-18-15/h2,4,7-8,10-11,14H,3,5-6,9,12H2,1H3/t14-/m0/s1
InChIKeyQOEWVQCBJOTLTF-AWEZNQCLSA-N
MW312.37 g/mol
LogP2.18
Rot. Bonds4

About N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide

N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 95551213) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID95551213
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCN(C[C@@H]1CCCCO1)C(=O)c1cnc(-c2ccccn2)nc1
InChIInChI=1S/C17H20N4O2/c1-21(12-14-6-3-5-9-23-14)17(22)13-10-19-16(20-11-13)15-7-2-4-8-18-15/h2,4,7-8,10-11,14H,3,5-6,9,12H2,1H3/t14-/m0/s1
InChIKeyQOEWVQCBJOTLTF-AWEZNQCLSA-N
XLogP2.18
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-amino-2-pyridinyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 126435144
5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 61218020
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 61435800
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 97444786
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 126449114
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-1,8-naphthyridine-2-carboxamide
CID 95189773
2-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 62179768
N-methyl-2-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 61436480
5-amino-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 81315666
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide (CID 95551213) is N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide is CN(C[C@@H]1CCCCO1)C(=O)c1cnc(-c2ccccn2)nc1.
What is the InChIKey of N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is QOEWVQCBJOTLTF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-21(12-14-6-3-5-9-23-14)17(22)13-10-19-16(20-11-13)15-7-2-4-8-18-15/h2,4,7-8,10-11,14H,3,5-6,9,12H2,1H3/t14-/m0/s1.
What are the key properties of N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 95551213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).