N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide

C14H16ClN3O — CID 18442871

IUPACN-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
SMILESN[C@@H]1CCC[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C14H16ClN3O/c15-9-4-5-11-8(6-9)7-13(17-11)14(19)18-12-3-1-2-10(12)16/h4-7,10,12,17H,1-3,16H2,(H,18,19)/t10-,12-/m1/s1
InChIKeyBTBGEXWJGQIWAQ-ZYHUDNBSSA-N
MW277.75 g/mol
LogP2.43
Rot. Bonds2

About N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide

N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide (PubChem CID 18442871) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
PubChem CID18442871
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
SMILESN[C@@H]1CCC[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C14H16ClN3O/c15-9-4-5-11-8(6-9)7-13(17-11)14(19)18-12-3-1-2-10(12)16/h4-7,10,12,17H,1-3,16H2,(H,18,19)/t10-,12-/m1/s1
InChIKeyBTBGEXWJGQIWAQ-ZYHUDNBSSA-N
XLogP2.43
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide
CID 18442852
N-[(1R,2S)-2-amino-4-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]-5-chloro-1H-indole-2-carboxamide;hydrochloride
CID 70662076
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
ethyl (1R,3S,4R)-3-amino-4-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 67056797
N-[(3aS,5R,6S,7aR)-6-amino-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-5-chloro-1H-indole-2-carboxamide
CID 68905442
N-[(3aR,5R,6S,7aS)-6-amino-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-5-chloro-1H-indole-2-carboxamide
CID 68907064
N-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442866
N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide
CID 141094418
tert-butyl (4S)-3-amino-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate
CID 68602421
5-chloro-N-[(1S,2R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-2-carboxamide
CID 11213659
5-chloro-N-[2-[[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide
CID 67188500
5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide
CID 58822060

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide (CID 18442871) is N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide is N[C@@H]1CCC[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide?
The InChIKey is BTBGEXWJGQIWAQ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-9-4-5-11-8(6-9)7-13(17-11)14(19)18-12-3-1-2-10(12)16/h4-7,10,12,17H,1-3,16H2,(H,18,19)/t10-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide?
N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 2.43, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide is sourced from PubChem (CID 18442871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).