2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide

C12H18ClN3O — CID 114922209

IUPAC2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
SMILESCC(C)CC(C)NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C12H18ClN3O/c1-7(2)4-8(3)16-12(17)9-5-11(14)15-6-10(9)13/h5-8H,4H2,1-3H3,(H2,14,15)(H,16,17)
InChIKeyRTERPNGTGHJRDN-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.48
Rot. Bonds4

About 2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide

2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide (PubChem CID 114922209) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
PubChem CID114922209
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
SMILESCC(C)CC(C)NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C12H18ClN3O/c1-7(2)4-8(3)16-12(17)9-5-11(14)15-6-10(9)13/h5-8H,4H2,1-3H3,(H2,14,15)(H,16,17)
InChIKeyRTERPNGTGHJRDN-UHFFFAOYSA-N
XLogP2.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide
CID 114921730
2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923822
2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 114924604
2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 114924724
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923012
2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 114924418
5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide
CID 43371733
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
2-amino-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 114922653
2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide
CID 114923757
2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide
CID 113331662

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide (CID 114922209) is 2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide is CC(C)CC(C)NC(=O)c1cc(N)ncc1Cl.
What is the InChIKey of 2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide?
The InChIKey is RTERPNGTGHJRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-7(2)4-8(3)16-12(17)9-5-11(14)15-6-10(9)13/h5-8H,4H2,1-3H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide?
2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114922209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).