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

C14H15ClN4O2 — CID 60779013

IUPAC2-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-4-carboxamide
SMILESCOc1nccc(N(C)C)c1NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C14H15ClN4O2/c1-19(2)10-5-7-17-14(21-3)12(10)18-13(20)9-4-6-16-11(15)8-9/h4-8H,1-3H3,(H,18,20)
InChIKeyHWHKIAAXEGKQHK-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.46
Rot. Bonds4

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

2-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 60779013) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-4-carboxamide
PubChem CID60779013
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name2-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-4-carboxamide
SMILESCOc1nccc(N(C)C)c1NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C14H15ClN4O2/c1-19(2)10-5-7-17-14(21-3)12(10)18-13(20)9-4-6-16-11(15)8-9/h4-8H,1-3H3,(H,18,20)
InChIKeyHWHKIAAXEGKQHK-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-4-carboxamide (CID 60779013) is 2-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-4-carboxamide is COc1nccc(N(C)C)c1NC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is HWHKIAAXEGKQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-19(2)10-5-7-17-14(21-3)12(10)18-13(20)9-4-6-16-11(15)8-9/h4-8H,1-3H3,(H,18,20).
What are the key properties of 2-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-4-carboxamide?
2-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-4-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 2-chloro-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 60779013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).