N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide

C21H23N5O2 — CID 55838629

IUPACN-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
SMILESCC(NC(=O)CCNc1ncccn1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C21H23N5O2/c1-16(26-20(27)9-13-25-21-23-11-3-12-24-21)18-5-7-19(8-6-18)28-15-17-4-2-10-22-14-17/h2-8,10-12,14,16H,9,13,15H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyPPNFIUGMNVHJKI-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.13
Rot. Bonds9

About N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide

N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide (PubChem CID 55838629) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
PubChem CID55838629
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
SMILESCC(NC(=O)CCNc1ncccn1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C21H23N5O2/c1-16(26-20(27)9-13-25-21-23-11-3-12-24-21)18-5-7-19(8-6-18)28-15-17-4-2-10-22-14-17/h2-8,10-12,14,16H,9,13,15H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyPPNFIUGMNVHJKI-UHFFFAOYSA-N
XLogP3.13
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-phenylethoxy)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86871872
5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55692986
2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46470469
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]propanamide
CID 46463459
2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 46454003
N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 94448615
N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide
CID 55693376
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 51943853
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]propanamide
CID 55693153
2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46463730
3-(pyrimidin-2-ylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 47054884
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55959044

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide?
The IUPAC name of N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide (CID 55838629) is N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide.
What is the SMILES notation for N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide?
The canonical SMILES for N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide is CC(NC(=O)CCNc1ncccn1)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide?
The InChIKey is PPNFIUGMNVHJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-16(26-20(27)9-13-25-21-23-11-3-12-24-21)18-5-7-19(8-6-18)28-15-17-4-2-10-22-14-17/h2-8,10-12,14,16H,9,13,15H2,1H3,(H,26,27)(H,23,24,25).
What are the key properties of N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide?
N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide has a molecular weight of 377.45 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide is sourced from PubChem (CID 55838629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).