N-[4-(3-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide

C18H25N5O — CID 118496982

IUPACN-[4-(3-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide
SMILESNC1CCCN(c2ccnc3[nH]cc(NC(=O)C4CCCC4)c23)C1
InChIInChI=1S/C18H25N5O/c19-13-6-3-9-23(11-13)15-7-8-20-17-16(15)14(10-21-17)22-18(24)12-4-1-2-5-12/h7-8,10,12-13H,1-6,9,11,19H2,(H,20,21)(H,22,24)
InChIKeyYYFOIKHIODFRMB-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.62
Rot. Bonds3

About N-[4-(3-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide

N-[4-(3-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide (PubChem CID 118496982) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[4-(3-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide
PubChem CID118496982
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[4-(3-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide
SMILESNC1CCCN(c2ccnc3[nH]cc(NC(=O)C4CCCC4)c23)C1
InChIInChI=1S/C18H25N5O/c19-13-6-3-9-23(11-13)15-7-8-20-17-16(15)14(10-21-17)22-18(24)12-4-1-2-5-12/h7-8,10,12-13H,1-6,9,11,19H2,(H,20,21)(H,22,24)
InChIKeyYYFOIKHIODFRMB-UHFFFAOYSA-N
XLogP2.62
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclobutanecarboxamide
CID 44515341
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclobutanecarboxamide;hydrochloride
CID 67045502
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;dihydrochloride
CID 131749450
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;(E)-but-2-enedioic acid
CID 122506491
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-propan-2-ylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;hydrochloride
CID 67045561
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;ethanesulfonic acid
CID 122506484
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;ethanesulfonic acid;hydrate
CID 172744353
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide;hydrochloride
CID 67045974
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoropropanamide;hydrochloride
CID 67045283
N-[4-(3-aminopiperidin-1-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]propanamide
CID 67045613
N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide;hydrochloride
CID 67045549
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-cyclopropylacetamide
CID 58195469

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(3-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide (CID 118496982) is N-[4-(3-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(3-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(3-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide is NC1CCCN(c2ccnc3[nH]cc(NC(=O)C4CCCC4)c23)C1.
What is the InChIKey of N-[4-(3-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide?
The InChIKey is YYFOIKHIODFRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c19-13-6-3-9-23(11-13)15-7-8-20-17-16(15)14(10-21-17)22-18(24)12-4-1-2-5-12/h7-8,10,12-13H,1-6,9,11,19H2,(H,20,21)(H,22,24).
What are the key properties of N-[4-(3-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide?
N-[4-(3-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 118496982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).