N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide

C13H16N4O — CID 115668506

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)NCCc1ncc[nH]1
InChIInChI=1S/C13H16N4O/c18-13(2-1-11-3-6-14-7-4-11)17-8-5-12-15-9-10-16-12/h3-4,6-7,9-10H,1-2,5,8H2,(H,15,16)(H,17,18)
InChIKeyBVLKOBHGMFXYKG-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.10
Rot. Bonds6

About N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide

N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide (PubChem CID 115668506) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
PubChem CID115668506
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)NCCc1ncc[nH]1
InChIInChI=1S/C13H16N4O/c18-13(2-1-11-3-6-14-7-4-11)17-8-5-12-15-9-10-16-12/h3-4,6-7,9-10H,1-2,5,8H2,(H,15,16)(H,17,18)
InChIKeyBVLKOBHGMFXYKG-UHFFFAOYSA-N
XLogP1.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide
CID 113267585
N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide
CID 115668473
N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide
CID 100742829
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
N-(3-aminopropyl)-3-pyridin-4-ylpropanamide
CID 79018013
2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115649653
6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide
CID 115649646
2-(4-acetamidophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115620125
4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide
CID 115620196
3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 115668421
N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide
CID 113351816
2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 113315085

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide (CID 115668506) is N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide is O=C(CCc1ccncc1)NCCc1ncc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide?
The InChIKey is BVLKOBHGMFXYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c18-13(2-1-11-3-6-14-7-4-11)17-8-5-12-15-9-10-16-12/h3-4,6-7,9-10H,1-2,5,8H2,(H,15,16)(H,17,18).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide?
N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide has a molecular weight of 244.30 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 115668506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).