N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide

C22H21N5O — CID 46982202

IUPACN-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide
SMILESO=C(c1nccc2ccccc12)N(CCCn1ccnc1)Cc1ccncc1
InChIInChI=1S/C22H21N5O/c28-22(21-20-5-2-1-4-19(20)8-11-25-21)27(16-18-6-9-23-10-7-18)14-3-13-26-15-12-24-17-26/h1-2,4-12,15,17H,3,13-14,16H2
InChIKeyDTKVFQDIPLPFHC-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.56
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide

N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide (PubChem CID 46982202) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide
PubChem CID46982202
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide
SMILESO=C(c1nccc2ccccc12)N(CCCn1ccnc1)Cc1ccncc1
InChIInChI=1S/C22H21N5O/c28-22(21-20-5-2-1-4-19(20)8-11-25-21)27(16-18-6-9-23-10-7-18)14-3-13-26-15-12-24-17-26/h1-2,4-12,15,17H,3,13-14,16H2
InChIKeyDTKVFQDIPLPFHC-UHFFFAOYSA-N
XLogP3.56
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide
CID 56918772
4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 74250549
5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 74234527
(3S)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 99943887
N-[(4-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-1-benzothiophene-3-carboxamide
CID 112805655
4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide
CID 46982431
1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-imidazol-1-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 59826138
3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42699795
N-(3-aminopropyl)-N-(2-methoxyethyl)isoquinoline-1-carboxamide
CID 63287507
1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea
CID 55766950
1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea
CID 47023595
3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42699799

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide (CID 46982202) is N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide is O=C(c1nccc2ccccc12)N(CCCn1ccnc1)Cc1ccncc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide?
The InChIKey is DTKVFQDIPLPFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c28-22(21-20-5-2-1-4-19(20)8-11-25-21)27(16-18-6-9-23-10-7-18)14-3-13-26-15-12-24-17-26/h1-2,4-12,15,17H,3,13-14,16H2.
What are the key properties of N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide?
N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide is sourced from PubChem (CID 46982202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).