6-(aminomethyl)-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]naphthalene-2-carboxamide

C18H23N3O2 — CID 167820638

IUPAC6-(aminomethyl)-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]naphthalene-2-carboxamide
SMILESNCc1ccc2cc(C(=O)NCCN3CC[C@@H](O)C3)ccc2c1
InChIInChI=1S/C18H23N3O2/c19-11-13-1-2-15-10-16(4-3-14(15)9-13)18(23)20-6-8-21-7-5-17(22)12-21/h1-4,9-10,17,22H,5-8,11-12,19H2,(H,20,23)/t17-/m1/s1
InChIKeyBCYATSBOCJSQPX-QGZVFWFLSA-N
MW313.40 g/mol
LogP1.09
Rot. Bonds5

About 6-(aminomethyl)-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]naphthalene-2-carboxamide

6-(aminomethyl)-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]naphthalene-2-carboxamide (PubChem CID 167820638) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 6-(aminomethyl)-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]naphthalene-2-carboxamide
PubChem CID167820638
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name6-(aminomethyl)-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]naphthalene-2-carboxamide
SMILESNCc1ccc2cc(C(=O)NCCN3CC[C@@H](O)C3)ccc2c1
InChIInChI=1S/C18H23N3O2/c19-11-13-1-2-15-10-16(4-3-14(15)9-13)18(23)20-6-8-21-7-5-17(22)12-21/h1-4,9-10,17,22H,5-8,11-12,19H2,(H,20,23)/t17-/m1/s1
InChIKeyBCYATSBOCJSQPX-QGZVFWFLSA-N
XLogP1.09
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]naphthalene-2-carboxamide?
The IUPAC name of 6-(aminomethyl)-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]naphthalene-2-carboxamide (CID 167820638) is 6-(aminomethyl)-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-(aminomethyl)-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]naphthalene-2-carboxamide is NCc1ccc2cc(C(=O)NCCN3CC[C@@H](O)C3)ccc2c1.
What is the InChIKey of 6-(aminomethyl)-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]naphthalene-2-carboxamide?
The InChIKey is BCYATSBOCJSQPX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3O2/c19-11-13-1-2-15-10-16(4-3-14(15)9-13)18(23)20-6-8-21-7-5-17(22)12-21/h1-4,9-10,17,22H,5-8,11-12,19H2,(H,20,23)/t17-/m1/s1.
What are the key properties of 6-(aminomethyl)-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]naphthalene-2-carboxamide?
6-(aminomethyl)-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]naphthalene-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 167820638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).