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

C14H22N4O3 — CID 61213316

IUPACN-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOc1nccc(N(C)C)c1NC(=O)C1CC(OC)CN1
InChIInChI=1S/C14H22N4O3/c1-18(2)11-5-6-15-14(21-4)12(11)17-13(19)10-7-9(20-3)8-16-10/h5-6,9-10,16H,7-8H2,1-4H3,(H,17,19)
InChIKeyVNZGLLWICNVFNT-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.47
Rot. Bonds5

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

N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61213316) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID61213316
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOc1nccc(N(C)C)c1NC(=O)C1CC(OC)CN1
InChIInChI=1S/C14H22N4O3/c1-18(2)11-5-6-15-14(21-4)12(11)17-13(19)10-7-9(20-3)8-16-10/h5-6,9-10,16H,7-8H2,1-4H3,(H,17,19)
InChIKeyVNZGLLWICNVFNT-UHFFFAOYSA-N
XLogP0.47
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-4-methoxypyrrolidine-2-carboxamide (CID 61213316) is N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-4-methoxypyrrolidine-2-carboxamide is COc1nccc(N(C)C)c1NC(=O)C1CC(OC)CN1.
What is the InChIKey of N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is VNZGLLWICNVFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-18(2)11-5-6-15-14(21-4)12(11)17-13(19)10-7-9(20-3)8-16-10/h5-6,9-10,16H,7-8H2,1-4H3,(H,17,19).
What are the key properties of N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-4-methoxypyrrolidine-2-carboxamide?
N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61213316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).