6-chloro-5-[4-[1-(2-nitrosoacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C19H16ClN5O3 — CID 138741475

IUPAC6-chloro-5-[4-[1-(2-nitrosoacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=NCC(=O)N1CC=C(c2ccc(-c3nc4[nH]c(=O)[nH]c4cc3Cl)cc2)CC1
InChIInChI=1S/C19H16ClN5O3/c20-14-9-15-18(24-19(27)22-15)23-17(14)13-3-1-11(2-4-13)12-5-7-25(8-6-12)16(26)10-21-28/h1-5,9H,6-8,10H2,(H2,22,23,24,27)
InChIKeyRPCHNPXSZUGYMD-UHFFFAOYSA-N
MW397.82 g/mol
LogP2.95
Rot. Bonds4

About 6-chloro-5-[4-[1-(2-nitrosoacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one

6-chloro-5-[4-[1-(2-nitrosoacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 138741475) has the molecular formula C19H16ClN5O3 and a molecular weight of 397.82 g/mol. Its IUPAC name is 6-chloro-5-[4-[1-(2-nitrosoacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-5-[4-[1-(2-nitrosoacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID138741475
Molecular FormulaC19H16ClN5O3
Molecular Weight397.82 g/mol
Exact Mass397.09
IUPAC Name6-chloro-5-[4-[1-(2-nitrosoacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=NCC(=O)N1CC=C(c2ccc(-c3nc4[nH]c(=O)[nH]c4cc3Cl)cc2)CC1
InChIInChI=1S/C19H16ClN5O3/c20-14-9-15-18(24-19(27)22-15)23-17(14)13-3-1-11(2-4-13)12-5-7-25(8-6-12)16(26)10-21-28/h1-5,9H,6-8,10H2,(H2,22,23,24,27)
InChIKeyRPCHNPXSZUGYMD-UHFFFAOYSA-N
XLogP2.95
TPSA111.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-[1-(2-nitrosoacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-5-[4-[1-(2-nitrosoacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 138741475) is 6-chloro-5-[4-[1-(2-nitrosoacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-5-[4-[1-(2-nitrosoacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-5-[4-[1-(2-nitrosoacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one is O=NCC(=O)N1CC=C(c2ccc(-c3nc4[nH]c(=O)[nH]c4cc3Cl)cc2)CC1.
What is the InChIKey of 6-chloro-5-[4-[1-(2-nitrosoacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is RPCHNPXSZUGYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O3/c20-14-9-15-18(24-19(27)22-15)23-17(14)13-3-1-11(2-4-13)12-5-7-25(8-6-12)16(26)10-21-28/h1-5,9H,6-8,10H2,(H2,22,23,24,27).
What are the key properties of 6-chloro-5-[4-[1-(2-nitrosoacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
6-chloro-5-[4-[1-(2-nitrosoacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 397.82 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[4-[1-(2-nitrosoacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 138741475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).