3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-pyridin-3-yl-9H-carbazole-1-carboxamide

C29H25ClN4O2 — CID 66604751

IUPAC3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-pyridin-3-yl-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(-c2ccc(CN3CCOCC3)c(Cl)c2)cc2c1[nH]c1cc(-c3cccnc3)ccc12
InChIInChI=1S/C29H25ClN4O2/c30-26-14-18(3-4-21(26)17-34-8-10-36-11-9-34)22-12-24-23-6-5-19(20-2-1-7-32-16-20)15-27(23)33-28(24)25(13-22)29(31)35/h1-7,12-16,33H,8-11,17H2,(H2,31,35)
InChIKeySXVWWPNFNSIDRX-UHFFFAOYSA-N
MW497.00 g/mol
LogP5.63
Rot. Bonds5

About 3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-pyridin-3-yl-9H-carbazole-1-carboxamide

3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-pyridin-3-yl-9H-carbazole-1-carboxamide (PubChem CID 66604751) has the molecular formula C29H25ClN4O2 and a molecular weight of 497.00 g/mol. Its IUPAC name is 3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-pyridin-3-yl-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-pyridin-3-yl-9H-carbazole-1-carboxamide
PubChem CID66604751
Molecular FormulaC29H25ClN4O2
Molecular Weight497.00 g/mol
Exact Mass496.17
IUPAC Name3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-pyridin-3-yl-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(-c2ccc(CN3CCOCC3)c(Cl)c2)cc2c1[nH]c1cc(-c3cccnc3)ccc12
InChIInChI=1S/C29H25ClN4O2/c30-26-14-18(3-4-21(26)17-34-8-10-36-11-9-34)22-12-24-23-6-5-19(20-2-1-7-32-16-20)15-27(23)33-28(24)25(13-22)29(31)35/h1-7,12-16,33H,8-11,17H2,(H2,31,35)
InChIKeySXVWWPNFNSIDRX-UHFFFAOYSA-N
XLogP5.63
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.00
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-pyridin-3-yl-9H-carbazole-1-carboxamide?
The IUPAC name of 3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-pyridin-3-yl-9H-carbazole-1-carboxamide (CID 66604751) is 3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-pyridin-3-yl-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-pyridin-3-yl-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-pyridin-3-yl-9H-carbazole-1-carboxamide is NC(=O)c1cc(-c2ccc(CN3CCOCC3)c(Cl)c2)cc2c1[nH]c1cc(-c3cccnc3)ccc12.
What is the InChIKey of 3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-pyridin-3-yl-9H-carbazole-1-carboxamide?
The InChIKey is SXVWWPNFNSIDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN4O2/c30-26-14-18(3-4-21(26)17-34-8-10-36-11-9-34)22-12-24-23-6-5-19(20-2-1-7-32-16-20)15-27(23)33-28(24)25(13-22)29(31)35/h1-7,12-16,33H,8-11,17H2,(H2,31,35).
What are the key properties of 3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-pyridin-3-yl-9H-carbazole-1-carboxamide?
3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-pyridin-3-yl-9H-carbazole-1-carboxamide has a molecular weight of 497.00 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-7-pyridin-3-yl-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66604751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).