N-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide

C21H24N4O3 — CID 60584974

IUPACN-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)C1CCCN1C(=O)Cc1ccccc1)c1cccnc1
InChIInChI=1S/C21H24N4O3/c26-19(14-16-6-2-1-3-7-16)25-13-5-9-18(25)21(28)24-12-11-23-20(27)17-8-4-10-22-15-17/h1-4,6-8,10,15,18H,5,9,11-14H2,(H,23,27)(H,24,28)
InChIKeyIZVMKRPCBHYKQH-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.16
Rot. Bonds7

About N-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide

N-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 60584974) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
PubChem CID60584974
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)C1CCCN1C(=O)Cc1ccccc1)c1cccnc1
InChIInChI=1S/C21H24N4O3/c26-19(14-16-6-2-1-3-7-16)25-13-5-9-18(25)21(28)24-12-11-23-20(27)17-8-4-10-22-15-17/h1-4,6-8,10,15,18H,5,9,11-14H2,(H,23,27)(H,24,28)
InChIKeyIZVMKRPCBHYKQH-UHFFFAOYSA-N
XLogP1.16
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide (CID 60584974) is N-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide is O=C(NCCNC(=O)C1CCCN1C(=O)Cc1ccccc1)c1cccnc1.
What is the InChIKey of N-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is IZVMKRPCBHYKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-19(14-16-6-2-1-3-7-16)25-13-5-9-18(25)21(28)24-12-11-23-20(27)17-8-4-10-22-15-17/h1-4,6-8,10,15,18H,5,9,11-14H2,(H,23,27)(H,24,28).
What are the key properties of N-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide?
N-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 60584974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).