6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide

C13H20ClN3O — CID 62185664

IUPAC6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)CN(C(=O)c1cnc(N)c(Cl)c1)C(C)C
InChIInChI=1S/C13H20ClN3O/c1-8(2)7-17(9(3)4)13(18)10-5-11(14)12(15)16-6-10/h5-6,8-9H,7H2,1-4H3,(H2,15,16)
InChIKeyXNCMSVODNAWKSX-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.82
Rot. Bonds4

About 6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide

6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 62185664) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID62185664
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)CN(C(=O)c1cnc(N)c(Cl)c1)C(C)C
InChIInChI=1S/C13H20ClN3O/c1-8(2)7-17(9(3)4)13(18)10-5-11(14)12(15)16-6-10/h5-6,8-9H,7H2,1-4H3,(H2,15,16)
InChIKeyXNCMSVODNAWKSX-UHFFFAOYSA-N
XLogP2.82
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide (CID 62185664) is 6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide is CC(C)CN(C(=O)c1cnc(N)c(Cl)c1)C(C)C.
What is the InChIKey of 6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is XNCMSVODNAWKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-8(2)7-17(9(3)4)13(18)10-5-11(14)12(15)16-6-10/h5-6,8-9H,7H2,1-4H3,(H2,15,16).
What are the key properties of 6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide?
6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 269.78 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 62185664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).