4-amino-N-[(4-chlorophenyl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carboxamide

C20H22ClN5O — CID 45142256

IUPAC4-amino-N-[(4-chlorophenyl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carboxamide
SMILESNC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ccnc3[nH]ccc23)CC1
InChIInChI=1S/C20H22ClN5O/c21-15-3-1-14(2-4-15)13-25-19(27)20(22)7-11-26(12-8-20)17-6-10-24-18-16(17)5-9-23-18/h1-6,9-10H,7-8,11-13,22H2,(H,23,24)(H,25,27)
InChIKeyWPDHASUWSYKMLT-UHFFFAOYSA-N
MW383.88 g/mol
LogP2.83
Rot. Bonds4

About 4-amino-N-[(4-chlorophenyl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carboxamide

4-amino-N-[(4-chlorophenyl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carboxamide (PubChem CID 45142256) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is 4-amino-N-[(4-chlorophenyl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-chlorophenyl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carboxamide
PubChem CID45142256
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name4-amino-N-[(4-chlorophenyl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carboxamide
SMILESNC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ccnc3[nH]ccc23)CC1
InChIInChI=1S/C20H22ClN5O/c21-15-3-1-14(2-4-15)13-25-19(27)20(22)7-11-26(12-8-20)17-6-10-24-18-16(17)5-9-23-18/h1-6,9-10H,7-8,11-13,22H2,(H,23,24)(H,25,27)
InChIKeyWPDHASUWSYKMLT-UHFFFAOYSA-N
XLogP2.83
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carboxamide (CID 45142256) is 4-amino-N-[(4-chlorophenyl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-chlorophenyl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-amino-N-[(4-chlorophenyl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carboxamide is NC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ccnc3[nH]ccc23)CC1.
What is the InChIKey of 4-amino-N-[(4-chlorophenyl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carboxamide?
The InChIKey is WPDHASUWSYKMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c21-15-3-1-14(2-4-15)13-25-19(27)20(22)7-11-26(12-8-20)17-6-10-24-18-16(17)5-9-23-18/h1-6,9-10H,7-8,11-13,22H2,(H,23,24)(H,25,27).
What are the key properties of 4-amino-N-[(4-chlorophenyl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carboxamide?
4-amino-N-[(4-chlorophenyl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-chlorophenyl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 45142256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).