7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylindole-6-carboxamide

C32H39N5O3 — CID 118227109

IUPAC7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylindole-6-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCOCC3)nc2)c2ccn(C(C)C)c2c1C
InChIInChI=1S/C32H39N5O3/c1-6-7-23-16-21(4)35-32(39)28(23)19-34-31(38)26-17-27(25-10-11-37(20(2)3)30(25)22(26)5)24-8-9-29(33-18-24)36-12-14-40-15-13-36/h8-11,16-18,20H,6-7,12-15,19H2,1-5H3,(H,34,38)(H,35,39)
InChIKeyLJZMJJJDAJFPJX-UHFFFAOYSA-N
MW541.70 g/mol
LogP5.31
Rot. Bonds8

About 7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylindole-6-carboxamide

7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylindole-6-carboxamide (PubChem CID 118227109) has the molecular formula C32H39N5O3 and a molecular weight of 541.70 g/mol. Its IUPAC name is 7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylindole-6-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylindole-6-carboxamide
PubChem CID118227109
Molecular FormulaC32H39N5O3
Molecular Weight541.70 g/mol
Exact Mass541.31
IUPAC Name7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylindole-6-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCOCC3)nc2)c2ccn(C(C)C)c2c1C
InChIInChI=1S/C32H39N5O3/c1-6-7-23-16-21(4)35-32(39)28(23)19-34-31(38)26-17-27(25-10-11-37(20(2)3)30(25)22(26)5)24-8-9-29(33-18-24)36-12-14-40-15-13-36/h8-11,16-18,20H,6-7,12-15,19H2,1-5H3,(H,34,38)(H,35,39)
InChIKeyLJZMJJJDAJFPJX-UHFFFAOYSA-N
XLogP5.31
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.70
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylindole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylindole-6-carboxamide?
The IUPAC name of 7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylindole-6-carboxamide (CID 118227109) is 7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylindole-6-carboxamide.
What is the SMILES notation for 7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylindole-6-carboxamide?
The canonical SMILES for 7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylindole-6-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCOCC3)nc2)c2ccn(C(C)C)c2c1C.
What is the InChIKey of 7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylindole-6-carboxamide?
The InChIKey is LJZMJJJDAJFPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O3/c1-6-7-23-16-21(4)35-32(39)28(23)19-34-31(38)26-17-27(25-10-11-37(20(2)3)30(25)22(26)5)24-8-9-29(33-18-24)36-12-14-40-15-13-36/h8-11,16-18,20H,6-7,12-15,19H2,1-5H3,(H,34,38)(H,35,39).
What are the key properties of 7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylindole-6-carboxamide?
7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylindole-6-carboxamide has a molecular weight of 541.70 g/mol, XLogP of 5.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-4-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylindole-6-carboxamide is sourced from PubChem (CID 118227109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).