5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]naphthalene-1-carboxamide

C27H24N4O2 — CID 23646968

IUPAC5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]naphthalene-1-carboxamide
SMILESNC(=O)c1cccc2c(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cccc12
InChIInChI=1S/C27H24N4O2/c28-19(11-17-14-31-26-10-2-1-5-22(17)26)16-33-20-12-18(13-30-15-20)21-6-3-8-24-23(21)7-4-9-25(24)27(29)32/h1-10,12-15,19,31H,11,16,28H2,(H2,29,32)/t19-/m0/s1
InChIKeyYWAMNVZBVJIQMD-IBGZPJMESA-N
MW436.52 g/mol
LogP4.43
Rot. Bonds7

About 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]naphthalene-1-carboxamide

5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]naphthalene-1-carboxamide (PubChem CID 23646968) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]naphthalene-1-carboxamide
PubChem CID23646968
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]naphthalene-1-carboxamide
SMILESNC(=O)c1cccc2c(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cccc12
InChIInChI=1S/C27H24N4O2/c28-19(11-17-14-31-26-10-2-1-5-22(17)26)16-33-20-12-18(13-30-15-20)21-6-3-8-24-23(21)7-4-9-25(24)27(29)32/h1-10,12-15,19,31H,11,16,28H2,(H2,29,32)/t19-/m0/s1
InChIKeyYWAMNVZBVJIQMD-IBGZPJMESA-N
XLogP4.43
TPSA107.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]naphthalene-1-carboxamide?
The IUPAC name of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]naphthalene-1-carboxamide (CID 23646968) is 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]naphthalene-1-carboxamide is NC(=O)c1cccc2c(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cccc12.
What is the InChIKey of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]naphthalene-1-carboxamide?
The InChIKey is YWAMNVZBVJIQMD-IBGZPJMESA-N. The full InChI is InChI=1S/C27H24N4O2/c28-19(11-17-14-31-26-10-2-1-5-22(17)26)16-33-20-12-18(13-30-15-20)21-6-3-8-24-23(21)7-4-9-25(24)27(29)32/h1-10,12-15,19,31H,11,16,28H2,(H2,29,32)/t19-/m0/s1.
What are the key properties of 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]naphthalene-1-carboxamide?
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]naphthalene-1-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]naphthalene-1-carboxamide is sourced from PubChem (CID 23646968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).