N-[[5-[[(2R)-2-aminocyclobutyl]carbamoyl]-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

C25H37N5O2 — CID 146643388

IUPACN-[[5-[[(2R)-2-aminocyclobutyl]carbamoyl]-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cccc2c1NC(C(=O)NC(C1CC1)C1NCC(C(=O)NC3CC[C@H]3N)CC1C)C2
InChIInChI=1S/C25H37N5O2/c1-13-4-3-5-16-11-20(28-21(13)16)25(32)30-23(15-6-7-15)22-14(2)10-17(12-27-22)24(31)29-19-9-8-18(19)26/h3-5,14-15,17-20,22-23,27-28H,6-12,26H2,1-2H3,(H,29,31)(H,30,32)/t14?,17?,18-,19?,20?,22?,23?/m1/s1
InChIKeyOLDJNWFNXLJUIJ-ZZUVVCAPSA-N
MW439.60 g/mol
LogP1.45
Rot. Bonds6

About N-[[5-[[(2R)-2-aminocyclobutyl]carbamoyl]-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

N-[[5-[[(2R)-2-aminocyclobutyl]carbamoyl]-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146643388) has the molecular formula C25H37N5O2 and a molecular weight of 439.60 g/mol. Its IUPAC name is N-[[5-[[(2R)-2-aminocyclobutyl]carbamoyl]-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[[(2R)-2-aminocyclobutyl]carbamoyl]-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146643388
Molecular FormulaC25H37N5O2
Molecular Weight439.60 g/mol
Exact Mass439.29
IUPAC NameN-[[5-[[(2R)-2-aminocyclobutyl]carbamoyl]-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cccc2c1NC(C(=O)NC(C1CC1)C1NCC(C(=O)NC3CC[C@H]3N)CC1C)C2
InChIInChI=1S/C25H37N5O2/c1-13-4-3-5-16-11-20(28-21(13)16)25(32)30-23(15-6-7-15)22-14(2)10-17(12-27-22)24(31)29-19-9-8-18(19)26/h3-5,14-15,17-20,22-23,27-28H,6-12,26H2,1-2H3,(H,29,31)(H,30,32)/t14?,17?,18-,19?,20?,22?,23?/m1/s1
InChIKeyOLDJNWFNXLJUIJ-ZZUVVCAPSA-N
XLogP1.45
TPSA108.28 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 51.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(2R)-2-aminocyclobutyl]carbamoyl]-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[[5-[[(2R)-2-aminocyclobutyl]carbamoyl]-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 146643388) is N-[[5-[[(2R)-2-aminocyclobutyl]carbamoyl]-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[5-[[(2R)-2-aminocyclobutyl]carbamoyl]-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[[5-[[(2R)-2-aminocyclobutyl]carbamoyl]-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is Cc1cccc2c1NC(C(=O)NC(C1CC1)C1NCC(C(=O)NC3CC[C@H]3N)CC1C)C2.
What is the InChIKey of N-[[5-[[(2R)-2-aminocyclobutyl]carbamoyl]-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is OLDJNWFNXLJUIJ-ZZUVVCAPSA-N. The full InChI is InChI=1S/C25H37N5O2/c1-13-4-3-5-16-11-20(28-21(13)16)25(32)30-23(15-6-7-15)22-14(2)10-17(12-27-22)24(31)29-19-9-8-18(19)26/h3-5,14-15,17-20,22-23,27-28H,6-12,26H2,1-2H3,(H,29,31)(H,30,32)/t14?,17?,18-,19?,20?,22?,23?/m1/s1.
What are the key properties of N-[[5-[[(2R)-2-aminocyclobutyl]carbamoyl]-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
N-[[5-[[(2R)-2-aminocyclobutyl]carbamoyl]-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 439.60 g/mol, XLogP of 1.45, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(2R)-2-aminocyclobutyl]carbamoyl]-3-methylpiperidin-2-yl]-cyclopropylmethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146643388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).