N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-6-(2-oxo-1-pyridinyl)pyridine-3-carboxamide

C24H17Cl2N5O4 — CID 44449700

IUPACN-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-6-(2-oxo-1-pyridinyl)pyridine-3-carboxamide
SMILESCOC1=CC(=CC(=C1NC(=O)C2=CN=C(C=C2)N3C=CC=CC3=O)C(=O)NC4=NC=C(C=C4)Cl)Cl
InChIInChI=1S/C24H17Cl2N5O4/c1-35-18-11-16(26)10-17(24(34)29-19-7-6-15(25)13-27-19)22(18)30-23(33)14-5-8-20(28-12-14)31-9-3-2-4-21(31)32/h2-13H,1H3,(H,30,33)(H,27,29,34)
InChIKeyDCEORBKVWCVUFX-UHFFFAOYSA-N
MW510.30 g/mol
LogP3.90
Rot. Bonds6

About N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-6-(2-oxo-1-pyridinyl)pyridine-3-carboxamide

N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-6-(2-oxo-1-pyridinyl)pyridine-3-carboxamide (PubChem CID 44449700) has the molecular formula C24H17Cl2N5O4 and a molecular weight of 510.30 g/mol. Its IUPAC name is N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-6-(2-oxo-1-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-6-(2-oxo-1-pyridinyl)pyridine-3-carboxamide
PubChem CID44449700
Molecular FormulaC24H17Cl2N5O4
Molecular Weight510.30 g/mol
Exact Mass509.07
IUPAC NameN-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-6-(2-oxo-1-pyridinyl)pyridine-3-carboxamide
SMILESCOC1=CC(=CC(=C1NC(=O)C2=CN=C(C=C2)N3C=CC=CC3=O)C(=O)NC4=NC=C(C=C4)Cl)Cl
InChIInChI=1S/C24H17Cl2N5O4/c1-35-18-11-16(26)10-17(24(34)29-19-7-6-15(25)13-27-19)22(18)30-23(33)14-5-8-20(28-12-14)31-9-3-2-4-21(31)32/h2-13H,1H3,(H,30,33)(H,27,29,34)
InChIKeyDCEORBKVWCVUFX-UHFFFAOYSA-N
XLogP3.90
TPSA114.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity856

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.30
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-6-(2-oxo-1-pyridinyl)pyridine-3-carboxamide with MolForge

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Related Compounds

Betrixaban
CID 10275777
ZK-814048
CID 16731825
ZK-810388
CID 3400921
3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl}-4-{[methyl(1,3-oxazol-2-yl)amino]methyl}thiophene-2-carboxamide
CID 447194
3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl}-4-[(diethylamino)methyl]thiophene-2-carboxamide
CID 9893544
3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl}-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide
CID 16731821
4-(aminomethyl)-3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl}thiophene-2-carboxamide
CID 16731824
3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl}-4-[(ethylamino)methyl]thiophene-2-carboxamide
CID 16731827
3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl}-4-{[ethyl(methyl)amino]methyl}thiophene-2-carboxamide
CID 16731976
3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl}-4-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide
CID 16731978
3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl}-4-{[(2-hydroxyethyl)(methyl)amino]methyl}thiophene-2-carboxamide
CID 16731980
3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl}-4-{[(3-hydroxypropyl)(methyl)amino]methyl}thiophene-2-carboxamide
CID 16732121

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-6-(2-oxo-1-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-6-(2-oxo-1-pyridinyl)pyridine-3-carboxamide (CID 44449700) is N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-6-(2-oxo-1-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-6-(2-oxo-1-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-6-(2-oxo-1-pyridinyl)pyridine-3-carboxamide is COC1=CC(=CC(=C1NC(=O)C2=CN=C(C=C2)N3C=CC=CC3=O)C(=O)NC4=NC=C(C=C4)Cl)Cl.
What is the InChIKey of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-6-(2-oxo-1-pyridinyl)pyridine-3-carboxamide?
The InChIKey is DCEORBKVWCVUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N5O4/c1-35-18-11-16(26)10-17(24(34)29-19-7-6-15(25)13-27-19)22(18)30-23(33)14-5-8-20(28-12-14)31-9-3-2-4-21(31)32/h2-13H,1H3,(H,30,33)(H,27,29,34).
What are the key properties of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-6-(2-oxo-1-pyridinyl)pyridine-3-carboxamide?
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-6-(2-oxo-1-pyridinyl)pyridine-3-carboxamide has a molecular weight of 510.30 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-6-(2-oxo-1-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 44449700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).