N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

C19H21N5OS — CID 70719654

IUPACN-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCc1ccc(CN(Cc2ccncc2)C(=O)C2NCCc3[nH]cnc32)s1
InChIInChI=1S/C19H21N5OS/c1-13-2-3-15(26-13)11-24(10-14-4-7-20-8-5-14)19(25)18-17-16(6-9-21-18)22-12-23-17/h2-5,7-8,12,18,21H,6,9-11H2,1H3,(H,22,23)
InChIKeyYCSGVRXKIXKCKZ-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.59
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 70719654) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID70719654
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCc1ccc(CN(Cc2ccncc2)C(=O)C2NCCc3[nH]cnc32)s1
InChIInChI=1S/C19H21N5OS/c1-13-2-3-15(26-13)11-24(10-14-4-7-20-8-5-14)19(25)18-17-16(6-9-21-18)22-12-23-17/h2-5,7-8,12,18,21H,6,9-11H2,1H3,(H,22,23)
InChIKeyYCSGVRXKIXKCKZ-UHFFFAOYSA-N
XLogP2.59
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (CID 70719654) is N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is Cc1ccc(CN(Cc2ccncc2)C(=O)C2NCCc3[nH]cnc32)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is YCSGVRXKIXKCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-2-3-15(26-13)11-24(10-14-4-7-20-8-5-14)19(25)18-17-16(6-9-21-18)22-12-23-17/h2-5,7-8,12,18,21H,6,9-11H2,1H3,(H,22,23).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 70719654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).