3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide

C12H18ClN3O — CID 122559790

IUPAC3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide
SMILESCN(C)CC(C)(C)NC(=O)c1ccncc1Cl
InChIInChI=1S/C12H18ClN3O/c1-12(2,8-16(3)4)15-11(17)9-5-6-14-7-10(9)13/h5-7H,8H2,1-4H3,(H,15,17)
InChIKeyCFIYKGPSWKRVNF-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.80
Rot. Bonds4

About 3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide

3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide (PubChem CID 122559790) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide
PubChem CID122559790
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide
SMILESCN(C)CC(C)(C)NC(=O)c1ccncc1Cl
InChIInChI=1S/C12H18ClN3O/c1-12(2,8-16(3)4)15-11(17)9-5-6-14-7-10(9)13/h5-7H,8H2,1-4H3,(H,15,17)
InChIKeyCFIYKGPSWKRVNF-UHFFFAOYSA-N
XLogP1.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide (CID 122559790) is 3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide is CN(C)CC(C)(C)NC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide?
The InChIKey is CFIYKGPSWKRVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-12(2,8-16(3)4)15-11(17)9-5-6-14-7-10(9)13/h5-7H,8H2,1-4H3,(H,15,17).
What are the key properties of 3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide?
3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 122559790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).