N-(3-aminopropyl)-N-benzyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide

C22H25N5O2 — CID 137099090

IUPACN-(3-aminopropyl)-N-benzyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C22H25N5O2/c1-16-19(22(29)26-21(25-16)18-9-5-11-24-14-18)13-20(28)27(12-6-10-23)15-17-7-3-2-4-8-17/h2-5,7-9,11,14H,6,10,12-13,15,23H2,1H3,(H,25,26,29)
InChIKeyUIHFGBGIWMYCHP-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.06
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide

N-(3-aminopropyl)-N-benzyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide (PubChem CID 137099090) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
PubChem CID137099090
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C22H25N5O2/c1-16-19(22(29)26-21(25-16)18-9-5-11-24-14-18)13-20(28)27(12-6-10-23)15-17-7-3-2-4-8-17/h2-5,7-9,11,14H,6,10,12-13,15,23H2,1H3,(H,25,26,29)
InChIKeyUIHFGBGIWMYCHP-UHFFFAOYSA-N
XLogP2.06
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide (CID 137099090) is N-(3-aminopropyl)-N-benzyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide is Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N(CCCN)Cc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide?
The InChIKey is UIHFGBGIWMYCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-19(22(29)26-21(25-16)18-9-5-11-24-14-18)13-20(28)27(12-6-10-23)15-17-7-3-2-4-8-17/h2-5,7-9,11,14H,6,10,12-13,15,23H2,1H3,(H,25,26,29).
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide?
N-(3-aminopropyl)-N-benzyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide has a molecular weight of 391.48 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 137099090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).