5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide

C12H18ClN3O2 — CID 114922484

IUPAC5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(C)CCO)c(Cl)cn1
InChIInChI=1S/C12H18ClN3O2/c1-3-4-14-11-7-9(10(13)8-15-11)12(18)16(2)5-6-17/h7-8,17H,3-6H2,1-2H3,(H,14,15)
InChIKeySHAJCLGKCIGICD-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.62
Rot. Bonds6

About 5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide

5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide (PubChem CID 114922484) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
PubChem CID114922484
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(C)CCO)c(Cl)cn1
InChIInChI=1S/C12H18ClN3O2/c1-3-4-14-11-7-9(10(13)8-15-11)12(18)16(2)5-6-17/h7-8,17H,3-6H2,1-2H3,(H,14,15)
InChIKeySHAJCLGKCIGICD-UHFFFAOYSA-N
XLogP1.62
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)pyridine-4-carboxamide
CID 114922728
5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
CID 114923905
5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 114923196
5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide
CID 114923600
N-(2-hydroxyethyl)-N-methyl-6-(propylamino)pyridine-3-carboxamide
CID 55046985
5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114924378
5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide
CID 114923597
N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114922104
5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide
CID 114922793
5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 114921827
5-chloro-2-(ethylamino)-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 114922169
5-chloro-N-(3-methylpentan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 106331340

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide (CID 114922484) is 5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)N(C)CCO)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is SHAJCLGKCIGICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-3-4-14-11-7-9(10(13)8-15-11)12(18)16(2)5-6-17/h7-8,17H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide?
5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 271.75 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114922484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).