N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]cyclopentanecarboxamide

C15H21N3O3 — CID 47043624

IUPACN-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]cyclopentanecarboxamide
SMILESCOc1ncccc1NC(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C15H21N3O3/c1-21-15-12(7-4-9-17-15)18-13(19)8-10-16-14(20)11-5-2-3-6-11/h4,7,9,11H,2-3,5-6,8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyRBKMPFRNVGIIIH-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.73
Rot. Bonds6

About N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]cyclopentanecarboxamide

N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]cyclopentanecarboxamide (PubChem CID 47043624) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]cyclopentanecarboxamide
PubChem CID47043624
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]cyclopentanecarboxamide
SMILESCOc1ncccc1NC(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C15H21N3O3/c1-21-15-12(7-4-9-17-15)18-13(19)8-10-16-14(20)11-5-2-3-6-11/h4,7,9,11H,2-3,5-6,8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyRBKMPFRNVGIIIH-UHFFFAOYSA-N
XLogP1.73
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]cyclopentanecarboxamide (CID 47043624) is N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]cyclopentanecarboxamide is COc1ncccc1NC(=O)CCNC(=O)C1CCCC1.
What is the InChIKey of N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]cyclopentanecarboxamide?
The InChIKey is RBKMPFRNVGIIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-15-12(7-4-9-17-15)18-13(19)8-10-16-14(20)11-5-2-3-6-11/h4,7,9,11H,2-3,5-6,8,10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]cyclopentanecarboxamide?
N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]cyclopentanecarboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]cyclopentanecarboxamide is sourced from PubChem (CID 47043624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).