cis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide

C16H22N4O — CID 133111847

IUPACcis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCCn1nc(CNC(=O)[C@@H]2CC[C@H](N)C2)c2ccccc21
InChIInChI=1S/C16H22N4O/c1-2-20-15-6-4-3-5-13(15)14(19-20)10-18-16(21)11-7-8-12(17)9-11/h3-6,11-12H,2,7-10,17H2,1H3,(H,18,21)/t11-,12+/m1/s1
InChIKeyBDCMUUZUFVRPNE-NEPJUHHUSA-N
MW286.38 g/mol
LogP1.80
Rot. Bonds4

About cis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide

cis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 133111847) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is cis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide
PubChem CID133111847
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Namecis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCCn1nc(CNC(=O)[C@@H]2CC[C@H](N)C2)c2ccccc21
InChIInChI=1S/C16H22N4O/c1-2-20-15-6-4-3-5-13(15)14(19-20)10-18-16(21)11-7-8-12(17)9-11/h3-6,11-12H,2,7-10,17H2,1H3,(H,18,21)/t11-,12+/m1/s1
InChIKeyBDCMUUZUFVRPNE-NEPJUHHUSA-N
XLogP1.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72875798
(3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide
CID 95100451
(3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95729625
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 103813782
3-amino-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119901656
cis-(1R,3S)-3-amino-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 133127188
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]cyclopropanecarboxamide
CID 121048517
3-amino-N-[(1-benzylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119728085
3-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide
CID 119399183
1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one
CID 114981052
N-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide
CID 91841182

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide (CID 133111847) is cis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide is CCn1nc(CNC(=O)[C@@H]2CC[C@H](N)C2)c2ccccc21.
What is the InChIKey of cis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is BDCMUUZUFVRPNE-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-20-15-6-4-3-5-13(15)14(19-20)10-18-16(21)11-7-8-12(17)9-11/h3-6,11-12H,2,7-10,17H2,1H3,(H,18,21)/t11-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide?
cis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 133111847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).