5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridine-3-carboxamide

C22H21N5O2 — CID 10172789

IUPAC5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridine-3-carboxamide
SMILESN[C@H](COc1cncc(C(=O)Nc2ccncc2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H21N5O2/c23-17(9-15-12-26-21-4-2-1-3-20(15)21)14-29-19-10-16(11-25-13-19)22(28)27-18-5-7-24-8-6-18/h1-8,10-13,17,26H,9,14,23H2,(H,24,27,28)/t17-/m0/s1
InChIKeyMUSFVJUDKNXXKM-KRWDZBQOSA-N
MW387.44 g/mol
LogP3.16
Rot. Bonds7

About 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridine-3-carboxamide

5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 10172789) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridine-3-carboxamide
PubChem CID10172789
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridine-3-carboxamide
SMILESN[C@H](COc1cncc(C(=O)Nc2ccncc2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H21N5O2/c23-17(9-15-12-26-21-4-2-1-3-20(15)21)14-29-19-10-16(11-25-13-19)22(28)27-18-5-7-24-8-6-18/h1-8,10-13,17,26H,9,14,23H2,(H,24,27,28)/t17-/m0/s1
InChIKeyMUSFVJUDKNXXKM-KRWDZBQOSA-N
XLogP3.16
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridine-3-carboxamide (CID 10172789) is 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridine-3-carboxamide is N[C@H](COc1cncc(C(=O)Nc2ccncc2)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is MUSFVJUDKNXXKM-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H21N5O2/c23-17(9-15-12-26-21-4-2-1-3-20(15)21)14-29-19-10-16(11-25-13-19)22(28)27-18-5-7-24-8-6-18/h1-8,10-13,17,26H,9,14,23H2,(H,24,27,28)/t17-/m0/s1.
What are the key properties of 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridine-3-carboxamide?
5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 10172789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).