4-chloro-N-(3-hydroxypropyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide

C14H16ClN3O2 — CID 71913925

IUPAC4-chloro-N-(3-hydroxypropyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc(Cl)c[nH]1)N(CCCO)Cc1cccnc1
InChIInChI=1S/C14H16ClN3O2/c15-12-7-13(17-9-12)14(20)18(5-2-6-19)10-11-3-1-4-16-8-11/h1,3-4,7-9,17,19H,2,5-6,10H2
InChIKeyRIHIASAMUSLSDA-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.09
Rot. Bonds6

About 4-chloro-N-(3-hydroxypropyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide

4-chloro-N-(3-hydroxypropyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 71913925) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-chloro-N-(3-hydroxypropyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-hydroxypropyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID71913925
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name4-chloro-N-(3-hydroxypropyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc(Cl)c[nH]1)N(CCCO)Cc1cccnc1
InChIInChI=1S/C14H16ClN3O2/c15-12-7-13(17-9-12)14(20)18(5-2-6-19)10-11-3-1-4-16-8-11/h1,3-4,7-9,17,19H,2,5-6,10H2
InChIKeyRIHIASAMUSLSDA-UHFFFAOYSA-N
XLogP2.09
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-hydroxypropyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-hydroxypropyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide (CID 71913925) is 4-chloro-N-(3-hydroxypropyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-hydroxypropyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-hydroxypropyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(c1cc(Cl)c[nH]1)N(CCCO)Cc1cccnc1.
What is the InChIKey of 4-chloro-N-(3-hydroxypropyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is RIHIASAMUSLSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-12-7-13(17-9-12)14(20)18(5-2-6-19)10-11-3-1-4-16-8-11/h1,3-4,7-9,17,19H,2,5-6,10H2.
What are the key properties of 4-chloro-N-(3-hydroxypropyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
4-chloro-N-(3-hydroxypropyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-hydroxypropyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71913925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).