N-[(2-ethoxy-3-pyridinyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide

C19H26N6O2 — CID 74244571

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1cnc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C19H26N6O2/c1-4-27-18-15(6-5-7-20-18)12-21-17(26)16-13-22-19(23-14(16)2)25-10-8-24(3)9-11-25/h5-7,13H,4,8-12H2,1-3H3,(H,21,26)
InChIKeyHASACOODKFZSKL-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.26
Rot. Bonds6

About N-[(2-ethoxy-3-pyridinyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide

N-[(2-ethoxy-3-pyridinyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 74244571) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID74244571
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1cnc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C19H26N6O2/c1-4-27-18-15(6-5-7-20-18)12-21-17(26)16-13-22-19(23-14(16)2)25-10-8-24(3)9-11-25/h5-7,13H,4,8-12H2,1-3H3,(H,21,26)
InChIKeyHASACOODKFZSKL-UHFFFAOYSA-N
XLogP1.26
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 74244571) is N-[(2-ethoxy-3-pyridinyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide is CCOc1ncccc1CNC(=O)c1cnc(N2CCN(C)CC2)nc1C.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is HASACOODKFZSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-4-27-18-15(6-5-7-20-18)12-21-17(26)16-13-22-19(23-14(16)2)25-10-8-24(3)9-11-25/h5-7,13H,4,8-12H2,1-3H3,(H,21,26).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 74244571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).