N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide

C17H28N6O2 — CID 51089111

IUPACN-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide
SMILESCCC(C)NC(=O)CCNC(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C17H28N6O2/c1-3-13(2)21-15(24)7-10-20-17(25)22-14-6-4-11-23(12-14)16-18-8-5-9-19-16/h5,8-9,13-14H,3-4,6-7,10-12H2,1-2H3,(H,21,24)(H2,20,22,25)
InChIKeySUXLGWRGWGPSFK-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.05
Rot. Bonds7

About N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide

N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide (PubChem CID 51089111) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide
PubChem CID51089111
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC NameN-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide
SMILESCCC(C)NC(=O)CCNC(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C17H28N6O2/c1-3-13(2)21-15(24)7-10-20-17(25)22-14-6-4-11-23(12-14)16-18-8-5-9-19-16/h5,8-9,13-14H,3-4,6-7,10-12H2,1-2H3,(H,21,24)(H2,20,22,25)
InChIKeySUXLGWRGWGPSFK-UHFFFAOYSA-N
XLogP1.05
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide with MolForge

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Related Compounds

(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 94122854
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
(2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide
CID 61179360
1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide
CID 56887725
1-[(5-ethylthiophen-2-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 51084671
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
N-butan-2-yl-3-[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]propanamide;hydroiodide
CID 111208123
2-ethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 60793288
2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 65224744

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide (CID 51089111) is N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide is CCC(C)NC(=O)CCNC(=O)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide?
The InChIKey is SUXLGWRGWGPSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-3-13(2)21-15(24)7-10-20-17(25)22-14-6-4-11-23(12-14)16-18-8-5-9-19-16/h5,8-9,13-14H,3-4,6-7,10-12H2,1-2H3,(H,21,24)(H2,20,22,25).
What are the key properties of N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide?
N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide has a molecular weight of 348.45 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide is sourced from PubChem (CID 51089111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).