3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide

C19H23N5O2 — CID 55840624

IUPAC3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
SMILESO=C(CCNc1ncccn1)NCc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H23N5O2/c25-17(7-10-22-19-20-8-4-9-21-19)23-14-15-5-3-6-16(13-15)18(26)24-11-1-2-12-24/h3-6,8-9,13H,1-2,7,10-12,14H2,(H,23,25)(H,20,21,22)
InChIKeyIAUTUIHQOQANJZ-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.83
Rot. Bonds7

About 3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide

3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide (PubChem CID 55840624) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
PubChem CID55840624
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
SMILESO=C(CCNc1ncccn1)NCc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H23N5O2/c25-17(7-10-22-19-20-8-4-9-21-19)23-14-15-5-3-6-16(13-15)18(26)24-11-1-2-12-24/h3-6,8-9,13H,1-2,7,10-12,14H2,(H,23,25)(H,20,21,22)
InChIKeyIAUTUIHQOQANJZ-UHFFFAOYSA-N
XLogP1.83
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
3-[(4-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 55722130
3-[(3-acetylphenyl)sulfonylamino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 46467072
2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 55710063
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 46466722
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide
CID 51096909
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
2-[(2S)-oxolan-2-yl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 94130282
3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46467040
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]butanamide
CID 46477188
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]butanamide
CID 56567608
3-(4-morpholin-4-ylsulfonylphenyl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 55709889

Frequently Asked Questions

What is the IUPAC name of 3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide (CID 55840624) is 3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide is O=C(CCNc1ncccn1)NCc1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of 3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
The InChIKey is IAUTUIHQOQANJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-17(7-10-22-19-20-8-4-9-21-19)23-14-15-5-3-6-16(13-15)18(26)24-11-1-2-12-24/h3-6,8-9,13H,1-2,7,10-12,14H2,(H,23,25)(H,20,21,22).
What are the key properties of 3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide has a molecular weight of 353.43 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55840624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).