N-(6-methoxy-3-pyridinyl)-3-(pyrimidin-2-ylamino)propanamide

C13H15N5O2 — CID 47244872

IUPACN-(6-methoxy-3-pyridinyl)-3-(pyrimidin-2-ylamino)propanamide
SMILESCOc1ccc(NC(=O)CCNc2ncccn2)cn1
InChIInChI=1S/C13H15N5O2/c1-20-12-4-3-10(9-17-12)18-11(19)5-8-16-13-14-6-2-7-15-13/h2-4,6-7,9H,5,8H2,1H3,(H,18,19)(H,14,15,16)
InChIKeyWDNBTRIKDMTRRV-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.32
Rot. Bonds6

About N-(6-methoxy-3-pyridinyl)-3-(pyrimidin-2-ylamino)propanamide

N-(6-methoxy-3-pyridinyl)-3-(pyrimidin-2-ylamino)propanamide (PubChem CID 47244872) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-(pyrimidin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-(pyrimidin-2-ylamino)propanamide
PubChem CID47244872
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-(pyrimidin-2-ylamino)propanamide
SMILESCOc1ccc(NC(=O)CCNc2ncccn2)cn1
InChIInChI=1S/C13H15N5O2/c1-20-12-4-3-10(9-17-12)18-11(19)5-8-16-13-14-6-2-7-15-13/h2-4,6-7,9H,5,8H2,1H3,(H,18,19)(H,14,15,16)
InChIKeyWDNBTRIKDMTRRV-UHFFFAOYSA-N
XLogP1.32
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(pyrimidin-2-ylamino)propanamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(pyrimidin-2-ylamino)propanamide (CID 47244872) is N-(6-methoxy-3-pyridinyl)-3-(pyrimidin-2-ylamino)propanamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-(pyrimidin-2-ylamino)propanamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-(pyrimidin-2-ylamino)propanamide is COc1ccc(NC(=O)CCNc2ncccn2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-(pyrimidin-2-ylamino)propanamide?
The InChIKey is WDNBTRIKDMTRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-20-12-4-3-10(9-17-12)18-11(19)5-8-16-13-14-6-2-7-15-13/h2-4,6-7,9H,5,8H2,1H3,(H,18,19)(H,14,15,16).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-(pyrimidin-2-ylamino)propanamide?
N-(6-methoxy-3-pyridinyl)-3-(pyrimidin-2-ylamino)propanamide has a molecular weight of 273.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-(pyrimidin-2-ylamino)propanamide is sourced from PubChem (CID 47244872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).