3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide

C12H17Cl2N3O — CID 54968177

IUPAC3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
SMILESCC(CCN(C)C)NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2N3O/c1-8(6-7-17(2)3)15-12(18)11-9(13)4-5-10(14)16-11/h4-5,8H,6-7H2,1-3H3,(H,15,18)
InChIKeyNVOZNSFHWUYDRC-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.46
Rot. Bonds5

About 3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide

3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide (PubChem CID 54968177) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is 3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
PubChem CID54968177
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
SMILESCC(CCN(C)C)NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2N3O/c1-8(6-7-17(2)3)15-12(18)11-9(13)4-5-10(14)16-11/h4-5,8H,6-7H2,1-3H3,(H,15,18)
InChIKeyNVOZNSFHWUYDRC-UHFFFAOYSA-N
XLogP2.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide
CID 62200974
3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide
CID 62177024
3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 79249197
(2S)-2-[(3,6-dichloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 103622853
5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide
CID 107257919
3-amino-4-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 54963258
4-[(3,6-dichloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 114037038
6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 113478192
2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 62185813
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
6-amino-3-chloro-N-[1-(diethylamino)propan-2-yl]pyridine-2-carboxamide
CID 62161278
2-[(3,6-dichloropyridine-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 103602658

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide (CID 54968177) is 3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide is CC(CCN(C)C)NC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide?
The InChIKey is NVOZNSFHWUYDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O/c1-8(6-7-17(2)3)15-12(18)11-9(13)4-5-10(14)16-11/h4-5,8H,6-7H2,1-3H3,(H,15,18).
What are the key properties of 3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide?
3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide has a molecular weight of 290.19 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 54968177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).