N,N-dimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine;formamide

C15H22N4OS — CID 170747736

IUPACN,N-dimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine;formamide
SMILESCc1cc2ccc(N3CCC(N(C)C)C3)nc2s1.NC=O
InChIInChI=1S/C14H19N3S.CH3NO/c1-10-8-11-4-5-13(15-14(11)18-10)17-7-6-12(9-17)16(2)3;2-1-3/h4-5,8,12H,6-7,9H2,1-3H3;1H,(H2,2,3)
InChIKeyZEUNZTZDALRPSM-UHFFFAOYSA-N
MW306.44 g/mol
LogP1.85
Rot. Bonds2

About N,N-dimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine;formamide

N,N-dimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine;formamide (PubChem CID 170747736) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine;formamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine;formamide
PubChem CID170747736
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN,N-dimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine;formamide
SMILESCc1cc2ccc(N3CCC(N(C)C)C3)nc2s1.NC=O
InChIInChI=1S/C14H19N3S.CH3NO/c1-10-8-11-4-5-13(15-14(11)18-10)17-7-6-12(9-17)16(2)3;2-1-3/h4-5,8,12H,6-7,9H2,1-3H3;1H,(H2,2,3)
InChIKeyZEUNZTZDALRPSM-UHFFFAOYSA-N
XLogP1.85
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(dimethylamino)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde
CID 170747771
formamide;2-methyl-6-(1-methylpiperidin-3-yl)thieno[2,3-b]pyridine
CID 177202390
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 177202673
N,N,3-trimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine
CID 170747520
6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine
CID 177202616
6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 80630963
1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166581
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136957825
4-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80828220
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 170747450
1-[6-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63168924
1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63168925

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine;formamide?
The IUPAC name of N,N-dimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine;formamide (CID 170747736) is N,N-dimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine;formamide.
What is the SMILES notation for N,N-dimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine;formamide?
The canonical SMILES for N,N-dimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine;formamide is Cc1cc2ccc(N3CCC(N(C)C)C3)nc2s1.NC=O.
What is the InChIKey of N,N-dimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine;formamide?
The InChIKey is ZEUNZTZDALRPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S.CH3NO/c1-10-8-11-4-5-13(15-14(11)18-10)17-7-6-12(9-17)16(2)3;2-1-3/h4-5,8,12H,6-7,9H2,1-3H3;1H,(H2,2,3).
What are the key properties of N,N-dimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine;formamide?
N,N-dimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine;formamide has a molecular weight of 306.44 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine;formamide is sourced from PubChem (CID 170747736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).