N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-3-oxopropyl]cyclopentanecarboxamide

C19H25N5O2 — CID 51116581

IUPACN-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-3-oxopropyl]cyclopentanecarboxamide
SMILESCc1nccn1-c1cc(CNC(=O)CCNC(=O)C2CCCC2)ccn1
InChIInChI=1S/C19H25N5O2/c1-14-20-10-11-24(14)17-12-15(6-8-21-17)13-23-18(25)7-9-22-19(26)16-4-2-3-5-16/h6,8,10-12,16H,2-5,7,9,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyMSHWVRMGYIQAAN-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.89
Rot. Bonds7

About N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-3-oxopropyl]cyclopentanecarboxamide

N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-3-oxopropyl]cyclopentanecarboxamide (PubChem CID 51116581) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-3-oxopropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-3-oxopropyl]cyclopentanecarboxamide
PubChem CID51116581
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-3-oxopropyl]cyclopentanecarboxamide
SMILESCc1nccn1-c1cc(CNC(=O)CCNC(=O)C2CCCC2)ccn1
InChIInChI=1S/C19H25N5O2/c1-14-20-10-11-24(14)17-12-15(6-8-21-17)13-23-18(25)7-9-22-19(26)16-4-2-3-5-16/h6,8,10-12,16H,2-5,7,9,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyMSHWVRMGYIQAAN-UHFFFAOYSA-N
XLogP1.89
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-3-oxopropyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-3-oxopropyl]cyclopentanecarboxamide (CID 51116581) is N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-3-oxopropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-3-oxopropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-3-oxopropyl]cyclopentanecarboxamide is Cc1nccn1-c1cc(CNC(=O)CCNC(=O)C2CCCC2)ccn1.
What is the InChIKey of N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-3-oxopropyl]cyclopentanecarboxamide?
The InChIKey is MSHWVRMGYIQAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-20-10-11-24(14)17-12-15(6-8-21-17)13-23-18(25)7-9-22-19(26)16-4-2-3-5-16/h6,8,10-12,16H,2-5,7,9,13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-3-oxopropyl]cyclopentanecarboxamide?
N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-3-oxopropyl]cyclopentanecarboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-3-oxopropyl]cyclopentanecarboxamide is sourced from PubChem (CID 51116581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).