3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide

C12H17N3O2 — CID 114114566

IUPAC3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide
SMILESCC1(NC(=O)c2ccncc2N)CCCOC1
InChIInChI=1S/C12H17N3O2/c1-12(4-2-6-17-8-12)15-11(16)9-3-5-14-7-10(9)13/h3,5,7H,2,4,6,8,13H2,1H3,(H,15,16)
InChIKeyOSTLHUFTQJWZOO-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.96
Rot. Bonds2

About 3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide

3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide (PubChem CID 114114566) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide
PubChem CID114114566
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide
SMILESCC1(NC(=O)c2ccncc2N)CCCOC1
InChIInChI=1S/C12H17N3O2/c1-12(4-2-6-17-8-12)15-11(16)9-3-5-14-7-10(9)13/h3,5,7H,2,4,6,8,13H2,1H3,(H,15,16)
InChIKeyOSTLHUFTQJWZOO-UHFFFAOYSA-N
XLogP0.96
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(3-methyloxan-3-yl)pyridine-4-carboxamide
CID 103897058
3-amino-N-(1-methylcyclopropyl)pyridine-4-carboxamide
CID 105071254
4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide
CID 114113473
3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide
CID 105072489
2-chloro-N-(3-methyloxan-3-yl)furan-3-carboxamide
CID 106812547
3-hydrazinyl-N-(1-methylcyclobutyl)pyridine-4-carboxamide
CID 105072481
2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide
CID 114113552
2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide
CID 122159233
4-[(3-methyloxan-3-yl)carbamoyl]benzoic acid
CID 114114464
5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide
CID 113347966
2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide
CID 103897052
2-bromo-4-fluoro-N-(3-methyloxan-3-yl)benzamide
CID 103899264

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide (CID 114114566) is 3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide is CC1(NC(=O)c2ccncc2N)CCCOC1.
What is the InChIKey of 3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide?
The InChIKey is OSTLHUFTQJWZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(4-2-6-17-8-12)15-11(16)9-3-5-14-7-10(9)13/h3,5,7H,2,4,6,8,13H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide?
3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114114566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).