5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide

C14H19ClN4O2 — CID 114922327

IUPAC5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCC(=O)NC2CC2)c(Cl)cn1
InChIInChI=1S/C14H19ClN4O2/c1-2-5-16-12-6-10(11(15)7-17-12)14(21)18-8-13(20)19-9-3-4-9/h6-7,9H,2-5,8H2,1H3,(H,16,17)(H,18,21)(H,19,20)
InChIKeySKAQVJIBGRFGCK-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.57
Rot. Bonds7

About 5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide

5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide (PubChem CID 114922327) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide
PubChem CID114922327
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCC(=O)NC2CC2)c(Cl)cn1
InChIInChI=1S/C14H19ClN4O2/c1-2-5-16-12-6-10(11(15)7-17-12)14(21)18-8-13(20)19-9-3-4-9/h6-7,9H,2-5,8H2,1H3,(H,16,17)(H,18,21)(H,19,20)
InChIKeySKAQVJIBGRFGCK-UHFFFAOYSA-N
XLogP1.57
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(ethylamino)-N-(4-methylcyclohexyl)pyridine-4-carboxamide
CID 104983746
5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 114922216
5-chloro-N-cyclohexyl-2-(ethylamino)pyridine-4-carboxamide
CID 114921677
5-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 114922629
5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 114922305
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 106280116
N-(5-amino-5-oxopentyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 106241124
5-chloro-N-(3-methylpentan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 106331340
5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 114922642
5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide
CID 114922793
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)benzamide
CID 62168218
5-chloro-N-(5-methyl-2-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 114921617

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide (CID 114922327) is 5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NCC(=O)NC2CC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is SKAQVJIBGRFGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-2-5-16-12-6-10(11(15)7-17-12)14(21)18-8-13(20)19-9-3-4-9/h6-7,9H,2-5,8H2,1H3,(H,16,17)(H,18,21)(H,19,20).
What are the key properties of 5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide?
5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 310.79 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114922327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).