4-chloro-N-ethyl-1-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-2-carboxamide

C16H20ClN3O — CID 125130540

IUPAC4-chloro-N-ethyl-1-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-2-carboxamide
SMILESCC[C@H](c1ccncc1)N(CC)C(=O)c1cc(Cl)cn1C
InChIInChI=1S/C16H20ClN3O/c1-4-14(12-6-8-18-9-7-12)20(5-2)16(21)15-10-13(17)11-19(15)3/h6-11,14H,4-5H2,1-3H3/t14-/m1/s1
InChIKeyRDXIRTYHNAOUHK-CQSZACIVSA-N
MW305.81 g/mol
LogP3.69
Rot. Bonds5

About 4-chloro-N-ethyl-1-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-2-carboxamide

4-chloro-N-ethyl-1-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-2-carboxamide (PubChem CID 125130540) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-chloro-N-ethyl-1-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-1-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-2-carboxamide
PubChem CID125130540
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name4-chloro-N-ethyl-1-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-2-carboxamide
SMILESCC[C@H](c1ccncc1)N(CC)C(=O)c1cc(Cl)cn1C
InChIInChI=1S/C16H20ClN3O/c1-4-14(12-6-8-18-9-7-12)20(5-2)16(21)15-10-13(17)11-19(15)3/h6-11,14H,4-5H2,1-3H3/t14-/m1/s1
InChIKeyRDXIRTYHNAOUHK-CQSZACIVSA-N
XLogP3.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-1-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-ethyl-1-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-2-carboxamide (CID 125130540) is 4-chloro-N-ethyl-1-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-ethyl-1-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-ethyl-1-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-2-carboxamide is CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(Cl)cn1C.
What is the InChIKey of 4-chloro-N-ethyl-1-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-2-carboxamide?
The InChIKey is RDXIRTYHNAOUHK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-14(12-6-8-18-9-7-12)20(5-2)16(21)15-10-13(17)11-19(15)3/h6-11,14H,4-5H2,1-3H3/t14-/m1/s1.
What are the key properties of 4-chloro-N-ethyl-1-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-2-carboxamide?
4-chloro-N-ethyl-1-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-2-carboxamide has a molecular weight of 305.81 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-1-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-2-carboxamide is sourced from PubChem (CID 125130540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).