N-[6-[1-(1-methylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide

C25H29N5O2 — CID 68751442

IUPACN-[6-[1-(1-methylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
SMILESCN1CCC(C(=O)N2CC=C(c3ccc(NC(=O)N4Cc5ccccc5C4)cn3)CC2)C1
InChIInChI=1S/C25H29N5O2/c1-28-11-8-21(15-28)24(31)29-12-9-18(10-13-29)23-7-6-22(14-26-23)27-25(32)30-16-19-4-2-3-5-20(19)17-30/h2-7,9,14,21H,8,10-13,15-17H2,1H3,(H,27,32)
InChIKeyNZDDJINOVMYFHB-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.20
Rot. Bonds3

About N-[6-[1-(1-methylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide

N-[6-[1-(1-methylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 68751442) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[6-[1-(1-methylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[6-[1-(1-methylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID68751442
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[6-[1-(1-methylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
SMILESCN1CCC(C(=O)N2CC=C(c3ccc(NC(=O)N4Cc5ccccc5C4)cn3)CC2)C1
InChIInChI=1S/C25H29N5O2/c1-28-11-8-21(15-28)24(31)29-12-9-18(10-13-29)23-7-6-22(14-26-23)27-25(32)30-16-19-4-2-3-5-20(19)17-30/h2-7,9,14,21H,8,10-13,15-17H2,1H3,(H,27,32)
InChIKeyNZDDJINOVMYFHB-UHFFFAOYSA-N
XLogP3.20
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(1-methylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[6-[1-(1-methylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide (CID 68751442) is N-[6-[1-(1-methylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[6-[1-(1-methylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[6-[1-(1-methylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide is CN1CCC(C(=O)N2CC=C(c3ccc(NC(=O)N4Cc5ccccc5C4)cn3)CC2)C1.
What is the InChIKey of N-[6-[1-(1-methylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is NZDDJINOVMYFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-28-11-8-21(15-28)24(31)29-12-9-18(10-13-29)23-7-6-22(14-26-23)27-25(32)30-16-19-4-2-3-5-20(19)17-30/h2-7,9,14,21H,8,10-13,15-17H2,1H3,(H,27,32).
What are the key properties of N-[6-[1-(1-methylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
N-[6-[1-(1-methylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(1-methylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 68751442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).