5-amino-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide

C19H22N4O — CID 42808773

IUPAC5-amino-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
SMILESCCCn1c(C(=O)NCCc2ccccn2)cc2cc(N)ccc21
InChIInChI=1S/C19H22N4O/c1-2-11-23-17-7-6-15(20)12-14(17)13-18(23)19(24)22-10-8-16-5-3-4-9-21-16/h3-7,9,12-13H,2,8,10-11,20H2,1H3,(H,22,24)
InChIKeyZTWDQIYSWNRWHJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.00
Rot. Bonds6

About 5-amino-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide

5-amino-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide (PubChem CID 42808773) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-amino-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
PubChem CID42808773
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name5-amino-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
SMILESCCCn1c(C(=O)NCCc2ccccn2)cc2cc(N)ccc21
InChIInChI=1S/C19H22N4O/c1-2-11-23-17-7-6-15(20)12-14(17)13-18(23)19(24)22-10-8-16-5-3-4-9-21-16/h3-7,9,12-13H,2,8,10-11,20H2,1H3,(H,22,24)
InChIKeyZTWDQIYSWNRWHJ-UHFFFAOYSA-N
XLogP3.00
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(furan-2-carbonylamino)-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83273417
1-ethyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83273760
2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide
CID 61095096
5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 61095095
3-amino-N-(2-pyridin-2-ylethyl)benzamide
CID 24704285
1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83278269
2-amino-2-methyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 60846982
4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441858
5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 42808893
1-[(2,5-dimethylphenyl)methyl]-5-(3-phenylpropanoylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83287290
4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039425
5-(cyclopropanecarbonylamino)-1-[(3-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83289572

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?
The IUPAC name of 5-amino-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide (CID 42808773) is 5-amino-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide.
What is the SMILES notation for 5-amino-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?
The canonical SMILES for 5-amino-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide is CCCn1c(C(=O)NCCc2ccccn2)cc2cc(N)ccc21.
What is the InChIKey of 5-amino-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?
The InChIKey is ZTWDQIYSWNRWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-11-23-17-7-6-15(20)12-14(17)13-18(23)19(24)22-10-8-16-5-3-4-9-21-16/h3-7,9,12-13H,2,8,10-11,20H2,1H3,(H,22,24).
What are the key properties of 5-amino-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?
5-amino-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide is sourced from PubChem (CID 42808773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).