4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide

C16H21N5O — CID 10828011

IUPAC4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide
SMILESCc1ccc2nnc(C(=O)NCCN3CCCC3)c(N)c2c1
InChIInChI=1S/C16H21N5O/c1-11-4-5-13-12(10-11)14(17)15(20-19-13)16(22)18-6-9-21-7-2-3-8-21/h4-5,10H,2-3,6-9H2,1H3,(H2,17,19)(H,18,22)
InChIKeyIQVOCPAQTCCISQ-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.35
Rot. Bonds4

About 4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide

4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide (PubChem CID 10828011) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide
PubChem CID10828011
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide
SMILESCc1ccc2nnc(C(=O)NCCN3CCCC3)c(N)c2c1
InChIInChI=1S/C16H21N5O/c1-11-4-5-13-12(10-11)14(17)15(20-19-13)16(22)18-6-9-21-7-2-3-8-21/h4-5,10H,2-3,6-9H2,1H3,(H2,17,19)(H,18,22)
InChIKeyIQVOCPAQTCCISQ-UHFFFAOYSA-N
XLogP1.35
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(2-piperidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 78878733
1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide
CID 118788228
2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 47000437
2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide
CID 67965449
N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide
CID 97277175
2-(furan-2-yl)-6-methyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 42749836
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
4-amino-6-chloro-N-propylcinnoline-3-carboxamide
CID 14012335
N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640
6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659166
6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide
CID 46288142
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide?
The IUPAC name of 4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide (CID 10828011) is 4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide is Cc1ccc2nnc(C(=O)NCCN3CCCC3)c(N)c2c1.
What is the InChIKey of 4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide?
The InChIKey is IQVOCPAQTCCISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-4-5-13-12(10-11)14(17)15(20-19-13)16(22)18-6-9-21-7-2-3-8-21/h4-5,10H,2-3,6-9H2,1H3,(H2,17,19)(H,18,22).
What are the key properties of 4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide?
4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide is sourced from PubChem (CID 10828011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).