N-[(2-methyloxolan-2-yl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide

C16H18N4O2 — CID 110090364

IUPACN-[(2-methyloxolan-2-yl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
SMILESCC1(CNC(=O)c2ccc(-c3cncnc3)nc2)CCCO1
InChIInChI=1S/C16H18N4O2/c1-16(5-2-6-22-16)10-20-15(21)12-3-4-14(19-9-12)13-7-17-11-18-8-13/h3-4,7-9,11H,2,5-6,10H2,1H3,(H,20,21)
InChIKeyHTEBSPWXXZQNFL-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.84
Rot. Bonds4

About N-[(2-methyloxolan-2-yl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide

N-[(2-methyloxolan-2-yl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide (PubChem CID 110090364) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[(2-methyloxolan-2-yl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyloxolan-2-yl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
PubChem CID110090364
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[(2-methyloxolan-2-yl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
SMILESCC1(CNC(=O)c2ccc(-c3cncnc3)nc2)CCCO1
InChIInChI=1S/C16H18N4O2/c1-16(5-2-6-22-16)10-20-15(21)12-3-4-14(19-9-12)13-7-17-11-18-8-13/h3-4,7-9,11H,2,5-6,10H2,1H3,(H,20,21)
InChIKeyHTEBSPWXXZQNFL-UHFFFAOYSA-N
XLogP1.84
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylamino)-N-[(2-methyloxolan-2-yl)methyl]pyridine-2-carboxamide
CID 104641788
2,6-dichloro-N-[(2-methyloxolan-2-yl)methyl]pyridine-3-carboxamide
CID 103747169
6-amino-N-[(2-methyloxolan-2-yl)methyl]pyrazine-2-carboxamide
CID 114036007
3-(3-hydroxyprop-1-ynyl)-4-methyl-N-[(2-methyloxolan-2-yl)methyl]benzamide
CID 81460826
N-[4-[(2-methyloxolan-2-yl)methylcarbamoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 71573238
4-(ethylamino)-6-methyl-N-[(2-methyloxolan-2-yl)methyl]pyridine-3-carboxamide
CID 81245640
N-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 71841602
N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 138034726
6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide
CID 111445550
5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 103738125
N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 91634104
N-ethyl-6-pyridin-3-ylpyridine-3-carboxamide
CID 141194620

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
The IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide (CID 110090364) is N-[(2-methyloxolan-2-yl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methyloxolan-2-yl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(2-methyloxolan-2-yl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide is CC1(CNC(=O)c2ccc(-c3cncnc3)nc2)CCCO1.
What is the InChIKey of N-[(2-methyloxolan-2-yl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
The InChIKey is HTEBSPWXXZQNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-16(5-2-6-22-16)10-20-15(21)12-3-4-14(19-9-12)13-7-17-11-18-8-13/h3-4,7-9,11H,2,5-6,10H2,1H3,(H,20,21).
What are the key properties of N-[(2-methyloxolan-2-yl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
N-[(2-methyloxolan-2-yl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxolan-2-yl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide is sourced from PubChem (CID 110090364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).