N-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine

C18H20N4 — CID 95719332

IUPACN-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1ccc(CN2CC[C@H](Nc3ccc4cc[nH]c4n3)C2)cc1
InChIInChI=1S/C18H20N4/c1-2-4-14(5-3-1)12-22-11-9-16(13-22)20-17-7-6-15-8-10-19-18(15)21-17/h1-8,10,16H,9,11-13H2,(H2,19,20,21)/t16-/m0/s1
InChIKeyCECSEVYSFIBBIE-INIZCTEOSA-N
MW292.39 g/mol
LogP3.25
Rot. Bonds4

About N-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine

N-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 95719332) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID95719332
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC NameN-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1ccc(CN2CC[C@H](Nc3ccc4cc[nH]c4n3)C2)cc1
InChIInChI=1S/C18H20N4/c1-2-4-14(5-3-1)12-22-11-9-16(13-22)20-17-7-6-15-8-10-19-18(15)21-17/h1-8,10,16H,9,11-13H2,(H2,19,20,21)/t16-/m0/s1
InChIKeyCECSEVYSFIBBIE-INIZCTEOSA-N
XLogP3.25
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
CID 130559123
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72859087
6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2H-isoquinolin-1-one
CID 59290709
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 18133059
1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine
CID 106575517
4-[[(3S)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 138595466
N-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine
CID 71199842
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 130559113
6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 91786856
2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900331

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 95719332) is N-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine is c1ccc(CN2CC[C@H](Nc3ccc4cc[nH]c4n3)C2)cc1.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is CECSEVYSFIBBIE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-4-14(5-3-1)12-22-11-9-16(13-22)20-17-7-6-15-8-10-19-18(15)21-17/h1-8,10,16H,9,11-13H2,(H2,19,20,21)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 292.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 95719332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).