3-[cyclopropylmethyl(methyl)amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one;(E)-4-(propan-2-ylamino)-1-pyrrolidin-1-ylbut-2-en-1-one

About 3-[cyclopropylmethyl(methyl)amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one;(E)-4-(propan-2-ylamino)-1-pyrrolidin-1-ylbut-2-en-1-one

3-[cyclopropylmethyl(methyl)amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one;(E)-4-(propan-2-ylamino)-1-pyrrolidin-1-ylbut-2-en-1-one (PubChem CID 144894285) has the molecular formula C27H39N5O3 and a molecular weight of 481.64 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(methyl)amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one;(E)-4-(propan-2-ylamino)-1-pyrrolidin-1-ylbut-2-en-1-one.

Molecular Properties

Compound Name	3-[cyclopropylmethyl(methyl)amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one;(E)-4-(propan-2-ylamino)-1-pyrrolidin-1-ylbut-2-en-1-one
PubChem CID	144894285
Molecular Formula	C27H39N5O3
Molecular Weight	481.64 g/mol
Exact Mass	481.31
IUPAC Name	3-[cyclopropylmethyl(methyl)amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one;(E)-4-(propan-2-ylamino)-1-pyrrolidin-1-ylbut-2-en-1-one
SMILES	CC(C)NC/C=C/C(=O)N1CCCC1.COc1cc(-c2c[nH]c(=O)c(N(C)CC3CC3)c2)ccn1
InChI	InChI=1S/C16H19N3O2.C11H20N2O/c1-19(10-11-3-4-11)14-7-13(9-18-16(14)20)12-5-6-17-15(8-12)21-2;1-10(2)12-7-5-6-11(14)13-8-3-4-9-13/h5-9,11H,3-4,10H2,1-2H3,(H,18,20);5-6,10,12H,3-4,7-9H2,1-2H3/b;6-5+
InChIKey	GPKPTPZVAJPTND-MXDQRGINSA-N
XLogP	3.45
TPSA	90.56 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.64
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(methyl)amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one;(E)-4-(propan-2-ylamino)-1-pyrrolidin-1-ylbut-2-en-1-one?

The IUPAC name of 3-[cyclopropylmethyl(methyl)amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one;(E)-4-(propan-2-ylamino)-1-pyrrolidin-1-ylbut-2-en-1-one (CID 144894285) is 3-[cyclopropylmethyl(methyl)amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one;(E)-4-(propan-2-ylamino)-1-pyrrolidin-1-ylbut-2-en-1-one.

What is the SMILES notation for 3-[cyclopropylmethyl(methyl)amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one;(E)-4-(propan-2-ylamino)-1-pyrrolidin-1-ylbut-2-en-1-one?

The canonical SMILES for 3-[cyclopropylmethyl(methyl)amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one;(E)-4-(propan-2-ylamino)-1-pyrrolidin-1-ylbut-2-en-1-one is CC(C)NC/C=C/C(=O)N1CCCC1.COc1cc(-c2c[nH]c(=O)c(N(C)CC3CC3)c2)ccn1.

What is the InChIKey of 3-[cyclopropylmethyl(methyl)amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one;(E)-4-(propan-2-ylamino)-1-pyrrolidin-1-ylbut-2-en-1-one?

The InChIKey is GPKPTPZVAJPTND-MXDQRGINSA-N. The full InChI is InChI=1S/C16H19N3O2.C11H20N2O/c1-19(10-11-3-4-11)14-7-13(9-18-16(14)20)12-5-6-17-15(8-12)21-2;1-10(2)12-7-5-6-11(14)13-8-3-4-9-13/h5-9,11H,3-4,10H2,1-2H3,(H,18,20);5-6,10,12H,3-4,7-9H2,1-2H3/b;6-5+.

What are the key properties of 3-[cyclopropylmethyl(methyl)amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one;(E)-4-(propan-2-ylamino)-1-pyrrolidin-1-ylbut-2-en-1-one?

3-[cyclopropylmethyl(methyl)amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one;(E)-4-(propan-2-ylamino)-1-pyrrolidin-1-ylbut-2-en-1-one has a molecular weight of 481.64 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[cyclopropylmethyl(methyl)amino]-5-(2-methoxy-4-pyridinyl)-1H-pyridin-2-one;(E)-4-(propan-2-ylamino)-1-pyrrolidin-1-ylbut-2-en-1-one is sourced from PubChem (CID 144894285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).