4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide

C15H22Br2N4O — CID 18998617

IUPAC4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide
SMILESBr.Br.NCC1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1
InChIInChI=1S/C15H20N4O.2BrH/c16-9-10-1-3-11(4-2-10)15(20)19-13-6-8-18-14-12(13)5-7-17-14;;/h5-8,10-11H,1-4,9,16H2,(H2,17,18,19,20);2*1H
InChIKeyNEOOEBNFKRJCKQ-UHFFFAOYSA-N
MW434.18 g/mol
LogP3.42
Rot. Bonds3

About 4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide

4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide (PubChem CID 18998617) has the molecular formula C15H22Br2N4O and a molecular weight of 434.18 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide
PubChem CID18998617
Molecular FormulaC15H22Br2N4O
Molecular Weight434.18 g/mol
Exact Mass432.02
IUPAC Name4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide
SMILESBr.Br.NCC1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1
InChIInChI=1S/C15H20N4O.2BrH/c16-9-10-1-3-11(4-2-10)15(20)19-13-6-8-18-14-12(13)5-7-17-14;;/h5-8,10-11H,1-4,9,16H2,(H2,17,18,19,20);2*1H
InChIKeyNEOOEBNFKRJCKQ-UHFFFAOYSA-N
XLogP3.42
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.18
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide?
The IUPAC name of 4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide (CID 18998617) is 4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide.
What is the SMILES notation for 4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide?
The canonical SMILES for 4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide is Br.Br.NCC1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide?
The InChIKey is NEOOEBNFKRJCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.2BrH/c16-9-10-1-3-11(4-2-10)15(20)19-13-6-8-18-14-12(13)5-7-17-14;;/h5-8,10-11H,1-4,9,16H2,(H2,17,18,19,20);2*1H.
What are the key properties of 4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide?
4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide has a molecular weight of 434.18 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide is sourced from PubChem (CID 18998617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).