N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclohexanamine

C14H18ClN3 — CID 170422562

IUPACN-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclohexanamine
SMILESClc1ccnc2[nH]c(CNC3CCCCC3)cc12
InChIInChI=1S/C14H18ClN3/c15-13-6-7-16-14-12(13)8-11(18-14)9-17-10-4-2-1-3-5-10/h6-8,10,17H,1-5,9H2,(H,16,18)
InChIKeyLUNBVBXNWCSPQZ-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.64
Rot. Bonds3

About N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclohexanamine

N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclohexanamine (PubChem CID 170422562) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclohexanamine
PubChem CID170422562
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclohexanamine
SMILESClc1ccnc2[nH]c(CNC3CCCCC3)cc12
InChIInChI=1S/C14H18ClN3/c15-13-6-7-16-14-12(13)8-11(18-14)9-17-10-4-2-1-3-5-10/h6-8,10,17H,1-5,9H2,(H,16,18)
InChIKeyLUNBVBXNWCSPQZ-UHFFFAOYSA-N
XLogP3.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclohexanamine (CID 170422562) is N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclohexanamine is Clc1ccnc2[nH]c(CNC3CCCCC3)cc12.
What is the InChIKey of N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclohexanamine?
The InChIKey is LUNBVBXNWCSPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c15-13-6-7-16-14-12(13)8-11(18-14)9-17-10-4-2-1-3-5-10/h6-8,10,17H,1-5,9H2,(H,16,18).
What are the key properties of N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclohexanamine?
N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclohexanamine has a molecular weight of 263.77 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclohexanamine is sourced from PubChem (CID 170422562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).