N-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C13H21N5O2 — CID 79354263

IUPACN-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCCCNC(=O)CCNC(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H21N5O2/c1-2-4-14-12(19)3-5-15-13(20)10-6-9-11(7-16-10)18-8-17-9/h8,10,16H,2-7H2,1H3,(H,14,19)(H,15,20)(H,17,18)
InChIKeyWLBZEZYCDKDGHM-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.54
Rot. Bonds6

About N-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79354263) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79354263
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCCCNC(=O)CCNC(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H21N5O2/c1-2-4-14-12(19)3-5-15-13(20)10-6-9-11(7-16-10)18-8-17-9/h8,10,16H,2-7H2,1H3,(H,14,19)(H,15,20)(H,17,18)
InChIKeyWLBZEZYCDKDGHM-UHFFFAOYSA-N
XLogP-0.54
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79354263) is N-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is CCCNC(=O)CCNC(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is WLBZEZYCDKDGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-2-4-14-12(19)3-5-15-13(20)10-6-9-11(7-16-10)18-8-17-9/h8,10,16H,2-7H2,1H3,(H,14,19)(H,15,20)(H,17,18).
What are the key properties of N-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(propylamino)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79354263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).