N-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide

C20H21ClN4O3 — CID 123639500

IUPACN-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)CCCCCCNC2=O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C20H21ClN4O3/c21-15-13-14(24-19(27)16-7-4-6-11-22-16)9-10-17(15)25-18(26)8-3-1-2-5-12-23-20(25)28/h4,6-7,9-11,13H,1-3,5,8,12H2,(H,23,28)(H,24,27)
InChIKeyGQFVNNQWVWTAKJ-UHFFFAOYSA-N
MW400.87 g/mol
LogP3.99
Rot. Bonds3

About N-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide

N-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide (PubChem CID 123639500) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is N-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide
PubChem CID123639500
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC NameN-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)CCCCCCNC2=O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C20H21ClN4O3/c21-15-13-14(24-19(27)16-7-4-6-11-22-16)9-10-17(15)25-18(26)8-3-1-2-5-12-23-20(25)28/h4,6-7,9-11,13H,1-3,5,8,12H2,(H,23,28)(H,24,27)
InChIKeyGQFVNNQWVWTAKJ-UHFFFAOYSA-N
XLogP3.99
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide (CID 123639500) is N-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(N2C(=O)CCCCCCNC2=O)c(Cl)c1)c1ccccn1.
What is the InChIKey of N-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is GQFVNNQWVWTAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c21-15-13-14(24-19(27)16-7-4-6-11-22-16)9-10-17(15)25-18(26)8-3-1-2-5-12-23-20(25)28/h4,6-7,9-11,13H,1-3,5,8,12H2,(H,23,28)(H,24,27).
What are the key properties of N-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide?
N-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 123639500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).