4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide

C15H21ClN2O3 — CID 81227781

IUPAC4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCCCOCC2CCCO2)cn1
InChIInChI=1S/C15H21ClN2O3/c1-11-8-14(16)13(9-18-11)15(19)17-5-3-6-20-10-12-4-2-7-21-12/h8-9,12H,2-7,10H2,1H3,(H,17,19)
InChIKeyAOQFSCDNXQNHFC-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.36
Rot. Bonds7

About 4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide

4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide (PubChem CID 81227781) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide
PubChem CID81227781
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCCCOCC2CCCO2)cn1
InChIInChI=1S/C15H21ClN2O3/c1-11-8-14(16)13(9-18-11)15(19)17-5-3-6-20-10-12-4-2-7-21-12/h8-9,12H,2-7,10H2,1H3,(H,17,19)
InChIKeyAOQFSCDNXQNHFC-UHFFFAOYSA-N
XLogP2.36
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide
CID 81225395
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506
1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide
CID 94179237
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 154747662
2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 79791073
6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide
CID 103186875
4-chloro-N-ethyl-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81226969
2-bromo-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103854604
3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103993790
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide
CID 97001915

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide (CID 81227781) is 4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NCCCOCC2CCCO2)cn1.
What is the InChIKey of 4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide?
The InChIKey is AOQFSCDNXQNHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-11-8-14(16)13(9-18-11)15(19)17-5-3-6-20-10-12-4-2-7-21-12/h8-9,12H,2-7,10H2,1H3,(H,17,19).
What are the key properties of 4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide?
4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 81227781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).