6-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-3-carboxamide

C14H15ClN4O2 — CID 60779060

IUPAC6-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-3-carboxamide
SMILESCOc1nccc(N(C)C)c1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C14H15ClN4O2/c1-19(2)10-6-7-16-14(21-3)12(10)18-13(20)9-4-5-11(15)17-8-9/h4-8H,1-3H3,(H,18,20)
InChIKeyFCTIXJGGWPBMGF-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.46
Rot. Bonds4

About 6-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-3-carboxamide

6-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 60779060) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 6-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-3-carboxamide
PubChem CID60779060
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name6-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-3-carboxamide
SMILESCOc1nccc(N(C)C)c1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C14H15ClN4O2/c1-19(2)10-6-7-16-14(21-3)12(10)18-13(20)9-4-5-11(15)17-8-9/h4-8H,1-3H3,(H,18,20)
InChIKeyFCTIXJGGWPBMGF-UHFFFAOYSA-N
XLogP2.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-4-carboxamide
CID 60779013
N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-2-methyl-2-(methylamino)propanamide
CID 62836562
(E)-4-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-4-oxobut-2-enoic acid
CID 54867953
2-cyclopropyl-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]propanamide
CID 75376281
2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid
CID 66174302
1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea
CID 75449648
2-amino-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pentanamide
CID 43701419
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350
6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide
CID 78837599
N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213316
N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide
CID 107434171
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 79359056

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-3-carboxamide (CID 60779060) is 6-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-3-carboxamide is COc1nccc(N(C)C)c1NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is FCTIXJGGWPBMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-19(2)10-6-7-16-14(21-3)12(10)18-13(20)9-4-5-11(15)17-8-9/h4-8H,1-3H3,(H,18,20).
What are the key properties of 6-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-3-carboxamide?
6-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 60779060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).