N-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide

C18H24ClN3O3 — CID 18442866

IUPACN-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide
SMILESCOCC1(COC)C[C@@H](N)[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1
InChIInChI=1S/C18H24ClN3O3/c1-24-9-18(10-25-2)7-13(20)16(8-18)22-17(23)15-6-11-5-12(19)3-4-14(11)21-15/h3-6,13,16,21H,7-10,20H2,1-2H3,(H,22,23)/t13-,16-/m1/s1
InChIKeyLOEDCWAILQTWIN-CZUORRHYSA-N
MW365.86 g/mol
LogP2.32
Rot. Bonds6

About N-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide

N-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide (PubChem CID 18442866) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide
PubChem CID18442866
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC NameN-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide
SMILESCOCC1(COC)C[C@@H](N)[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1
InChIInChI=1S/C18H24ClN3O3/c1-24-9-18(10-25-2)7-13(20)16(8-18)22-17(23)15-6-11-5-12(19)3-4-14(11)21-15/h3-6,13,16,21H,7-10,20H2,1-2H3,(H,22,23)/t13-,16-/m1/s1
InChIKeyLOEDCWAILQTWIN-CZUORRHYSA-N
XLogP2.32
TPSA89.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442871
N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide
CID 18442852
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
tert-butyl (4S)-3-amino-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate
CID 68602421
N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide
CID 141094418
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
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide
CID 154568197
[(1R,2S,5S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(hydroxymethyl)cyclohexyl]carbamic acid
CID 67056497

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide (CID 18442866) is N-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide is COCC1(COC)C[C@@H](N)[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1.
What is the InChIKey of N-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide?
The InChIKey is LOEDCWAILQTWIN-CZUORRHYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-24-9-18(10-25-2)7-13(20)16(8-18)22-17(23)15-6-11-5-12(19)3-4-14(11)21-15/h3-6,13,16,21H,7-10,20H2,1-2H3,(H,22,23)/t13-,16-/m1/s1.
What are the key properties of N-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide?
N-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-amino-4,4-bis(methoxymethyl)cyclopentyl]-5-chloro-1H-indole-2-carboxamide is sourced from PubChem (CID 18442866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).