N-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

C18H26N4O2 — CID 146394447

IUPACN-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cccc2c1NC(C(=O)NC1CCC(NC(=O)CCN)C1)C2
InChIInChI=1S/C18H26N4O2/c1-11-3-2-4-12-9-15(22-17(11)12)18(24)21-14-6-5-13(10-14)20-16(23)7-8-19/h2-4,13-15,22H,5-10,19H2,1H3,(H,20,23)(H,21,24)
InChIKeyKCVYDLOJZHFUKS-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.83
Rot. Bonds5

About N-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

N-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146394447) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146394447
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cccc2c1NC(C(=O)NC1CCC(NC(=O)CCN)C1)C2
InChIInChI=1S/C18H26N4O2/c1-11-3-2-4-12-9-15(22-17(11)12)18(24)21-14-6-5-13(10-14)20-16(23)7-8-19/h2-4,13-15,22H,5-10,19H2,1H3,(H,20,23)(H,21,24)
InChIKeyKCVYDLOJZHFUKS-UHFFFAOYSA-N
XLogP0.83
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395012
7-methyl-N-[4-[(2-piperidin-3-ylacetyl)amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146644503
N-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395195
N-[4-(3-aminopropanoylamino)cyclohexyl]-3-ethyl-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394896
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394481
7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 146644405
ethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
CID 146395282
N-[6-[4-(2-aminoethylamino)piperidin-1-yl]-4-[(4Z)-cyclooct-4-en-1-yl]piperidin-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395152
N-(4-aminocyclohexyl)-5,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394486
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394864
7-methyl-N-(1,3-oxazolidin-4-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 146394940
N-(4-aminocyclohexyl)-4,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394934

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 146394447) is N-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is Cc1cccc2c1NC(C(=O)NC1CCC(NC(=O)CCN)C1)C2.
What is the InChIKey of N-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is KCVYDLOJZHFUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-11-3-2-4-12-9-15(22-17(11)12)18(24)21-14-6-5-13(10-14)20-16(23)7-8-19/h2-4,13-15,22H,5-10,19H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
N-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 0.83, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146394447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).