6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide

C12H17N3O2 — CID 114106328

IUPAC6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide
SMILESCC1OCCC1CNc1ccc(C(N)=O)cn1
InChIInChI=1S/C12H17N3O2/c1-8-9(4-5-17-8)6-14-11-3-2-10(7-15-11)12(13)16/h2-3,7-9H,4-6H2,1H3,(H2,13,16)(H,14,15)
InChIKeyMRARTMUNIJJRDN-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.02
Rot. Bonds4

About 6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide

6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide (PubChem CID 114106328) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide
PubChem CID114106328
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide
SMILESCC1OCCC1CNc1ccc(C(N)=O)cn1
InChIInChI=1S/C12H17N3O2/c1-8-9(4-5-17-8)6-14-11-3-2-10(7-15-11)12(13)16/h2-3,7-9H,4-6H2,1H3,(H2,13,16)(H,14,15)
InChIKeyMRARTMUNIJJRDN-UHFFFAOYSA-N
XLogP1.02
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide
CID 78990640
1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441131
6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide
CID 122562773
5-methyl-N-[(2-methyloxolan-3-yl)methyl]-4-nitropyridin-2-amine
CID 114106282
ethyl 6-[(2-methyloxolan-3-yl)amino]pyridine-3-carboxylate
CID 82728827
6-(cyclopentylamino)pyridine-3-carboxamide
CID 112722808
2-ethyl-6-[(2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114106041
1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 61289753
6-[(3-morpholin-4-yl-3-oxopropyl)amino]pyridine-3-carboxamide
CID 115579964
6-[2-[cyclopropyl(ethyl)amino]ethylamino]pyridine-3-carboxamide
CID 113252356
[6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133332166
3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 63042064

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide (CID 114106328) is 6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide is CC1OCCC1CNc1ccc(C(N)=O)cn1.
What is the InChIKey of 6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide?
The InChIKey is MRARTMUNIJJRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-9(4-5-17-8)6-14-11-3-2-10(7-15-11)12(13)16/h2-3,7-9H,4-6H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide?
6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 114106328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).