N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide

C13H18N2O3 — CID 103762618

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC2COC(C)(C)O2)n1
InChIInChI=1S/C13H18N2O3/c1-9-5-4-6-11(15-9)12(16)14-7-10-8-17-13(2,3)18-10/h4-6,10H,7-8H2,1-3H3,(H,14,16)
InChIKeyNTJDAQQROMNFNJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.27
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide (PubChem CID 103762618) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide
PubChem CID103762618
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC2COC(C)(C)O2)n1
InChIInChI=1S/C13H18N2O3/c1-9-5-4-6-11(15-9)12(16)14-7-10-8-17-13(2,3)18-10/h4-6,10H,7-8H2,1-3H3,(H,14,16)
InChIKeyNTJDAQQROMNFNJ-UHFFFAOYSA-N
XLogP1.27
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide (CID 103762618) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NCC2COC(C)(C)O2)n1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide?
The InChIKey is NTJDAQQROMNFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-5-4-6-11(15-9)12(16)14-7-10-8-17-13(2,3)18-10/h4-6,10H,7-8H2,1-3H3,(H,14,16).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 103762618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).