N-[2-(diethylamino)ethyl]-2-[(9-ethylcarbazol-3-yl)amino]pyridine-3-carboxamide

C26H31N5O — CID 138585804

IUPACN-[2-(diethylamino)ethyl]-2-[(9-ethylcarbazol-3-yl)amino]pyridine-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cccnc1Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C26H31N5O/c1-4-30(5-2)17-16-28-26(32)21-11-9-15-27-25(21)29-19-13-14-24-22(18-19)20-10-7-8-12-23(20)31(24)6-3/h7-15,18H,4-6,16-17H2,1-3H3,(H,27,29)(H,28,32)
InChIKeyNRWMWWZGBUPOFL-UHFFFAOYSA-N
MW429.57 g/mol
LogP5.02
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-2-[(9-ethylcarbazol-3-yl)amino]pyridine-3-carboxamide

N-[2-(diethylamino)ethyl]-2-[(9-ethylcarbazol-3-yl)amino]pyridine-3-carboxamide (PubChem CID 138585804) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-[(9-ethylcarbazol-3-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-[(9-ethylcarbazol-3-yl)amino]pyridine-3-carboxamide
PubChem CID138585804
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC NameN-[2-(diethylamino)ethyl]-2-[(9-ethylcarbazol-3-yl)amino]pyridine-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cccnc1Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C26H31N5O/c1-4-30(5-2)17-16-28-26(32)21-11-9-15-27-25(21)29-19-13-14-24-22(18-19)20-10-7-8-12-23(20)31(24)6-3/h7-15,18H,4-6,16-17H2,1-3H3,(H,27,29)(H,28,32)
InChIKeyNRWMWWZGBUPOFL-UHFFFAOYSA-N
XLogP5.02
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-[(9-ethylcarbazol-3-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-[(9-ethylcarbazol-3-yl)amino]pyridine-3-carboxamide (CID 138585804) is N-[2-(diethylamino)ethyl]-2-[(9-ethylcarbazol-3-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-[(9-ethylcarbazol-3-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-[(9-ethylcarbazol-3-yl)amino]pyridine-3-carboxamide is CCN(CC)CCNC(=O)c1cccnc1Nc1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-[(9-ethylcarbazol-3-yl)amino]pyridine-3-carboxamide?
The InChIKey is NRWMWWZGBUPOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-4-30(5-2)17-16-28-26(32)21-11-9-15-27-25(21)29-19-13-14-24-22(18-19)20-10-7-8-12-23(20)31(24)6-3/h7-15,18H,4-6,16-17H2,1-3H3,(H,27,29)(H,28,32).
What are the key properties of N-[2-(diethylamino)ethyl]-2-[(9-ethylcarbazol-3-yl)amino]pyridine-3-carboxamide?
N-[2-(diethylamino)ethyl]-2-[(9-ethylcarbazol-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 429.57 g/mol, XLogP of 5.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-[(9-ethylcarbazol-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 138585804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).