N-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride

C15H23ClN4O — CID 119666826

IUPACN-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)Cc1c[nH]c2ncccc12.Cl
InChIInChI=1S/C15H22N4O.ClH/c1-2-3-5-12(9-16)19-14(20)8-11-10-18-15-13(11)6-4-7-17-15;/h4,6-7,10,12H,2-3,5,8-9,16H2,1H3,(H,17,18)(H,19,20);1H
InChIKeySFUWKSHELMPBQQ-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.16
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride

N-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride (PubChem CID 119666826) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride
PubChem CID119666826
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC NameN-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)Cc1c[nH]c2ncccc12.Cl
InChIInChI=1S/C15H22N4O.ClH/c1-2-3-5-12(9-16)19-14(20)8-11-10-18-15-13(11)6-4-7-17-15;/h4,6-7,10,12H,2-3,5,8-9,16H2,1H3,(H,17,18)(H,19,20);1H
InChIKeySFUWKSHELMPBQQ-UHFFFAOYSA-N
XLogP2.16
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65190802
4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid
CID 120535022
N-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 80697180
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2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide
CID 53144477
N-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119641820
N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)acetamide;hydrochloride
CID 119664823
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CID 119666599
N-(1-aminohexan-2-yl)-2-naphthalen-1-yloxyacetamide;hydrochloride
CID 119666910
N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide
CID 66414448
N-(1-aminohexan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
CID 119665333
2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]acetamide
CID 42610391

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride (CID 119666826) is N-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride is CCCCC(CN)NC(=O)Cc1c[nH]c2ncccc12.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride?
The InChIKey is SFUWKSHELMPBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O.ClH/c1-2-3-5-12(9-16)19-14(20)8-11-10-18-15-13(11)6-4-7-17-15;/h4,6-7,10,12H,2-3,5,8-9,16H2,1H3,(H,17,18)(H,19,20);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119666826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).