N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)-1H-indene-2-carboxamide

C22H24FN3O — CID 161032653

IUPACN-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)-1H-indene-2-carboxamide
SMILESNC[C@@H]1CN[C@H](CNC(=O)C2=Cc3ccc(-c4ccc(F)cc4)cc3C2)C1
InChIInChI=1S/C22H24FN3O/c23-20-5-3-15(4-6-20)16-1-2-17-9-19(10-18(17)8-16)22(27)26-13-21-7-14(11-24)12-25-21/h1-6,8-9,14,21,25H,7,10-13,24H2,(H,26,27)/t14-,21+/m1/s1
InChIKeyTZVCVUAMHVZBLH-SZNDQCEHSA-N
MW365.45 g/mol
LogP2.49
Rot. Bonds5

About N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)-1H-indene-2-carboxamide

N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)-1H-indene-2-carboxamide (PubChem CID 161032653) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)-1H-indene-2-carboxamide
PubChem CID161032653
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC NameN-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)-1H-indene-2-carboxamide
SMILESNC[C@@H]1CN[C@H](CNC(=O)C2=Cc3ccc(-c4ccc(F)cc4)cc3C2)C1
InChIInChI=1S/C22H24FN3O/c23-20-5-3-15(4-6-20)16-1-2-17-9-19(10-18(17)8-16)22(27)26-13-21-7-14(11-24)12-25-21/h1-6,8-9,14,21,25H,7,10-13,24H2,(H,26,27)/t14-,21+/m1/s1
InChIKeyTZVCVUAMHVZBLH-SZNDQCEHSA-N
XLogP2.49
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)-1H-indene-2-carboxamide?
The IUPAC name of N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)-1H-indene-2-carboxamide (CID 161032653) is N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)-1H-indene-2-carboxamide.
What is the SMILES notation for N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)-1H-indene-2-carboxamide?
The canonical SMILES for N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)-1H-indene-2-carboxamide is NC[C@@H]1CN[C@H](CNC(=O)C2=Cc3ccc(-c4ccc(F)cc4)cc3C2)C1.
What is the InChIKey of N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)-1H-indene-2-carboxamide?
The InChIKey is TZVCVUAMHVZBLH-SZNDQCEHSA-N. The full InChI is InChI=1S/C22H24FN3O/c23-20-5-3-15(4-6-20)16-1-2-17-9-19(10-18(17)8-16)22(27)26-13-21-7-14(11-24)12-25-21/h1-6,8-9,14,21,25H,7,10-13,24H2,(H,26,27)/t14-,21+/m1/s1.
What are the key properties of N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)-1H-indene-2-carboxamide?
N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)-1H-indene-2-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]methyl]-6-(4-fluorophenyl)-1H-indene-2-carboxamide is sourced from PubChem (CID 161032653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).