N-[(2R)-butan-2-yl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide

C19H33N5O — CID 98749562

IUPACN-[(2R)-butan-2-yl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
SMILESCCCNc1cc(N2CCC[C@@H](CCC(=O)N[C@H](C)CC)C2)ncn1
InChIInChI=1S/C19H33N5O/c1-4-10-20-17-12-18(22-14-21-17)24-11-6-7-16(13-24)8-9-19(25)23-15(3)5-2/h12,14-16H,4-11,13H2,1-3H3,(H,23,25)(H,20,21,22)/t15-,16+/m1/s1
InChIKeyNJMOLTFLYDORSS-CVEARBPZSA-N
MW347.51 g/mol
LogP3.21
Rot. Bonds9

About N-[(2R)-butan-2-yl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide

N-[(2R)-butan-2-yl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide (PubChem CID 98749562) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
PubChem CID98749562
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC NameN-[(2R)-butan-2-yl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
SMILESCCCNc1cc(N2CCC[C@@H](CCC(=O)N[C@H](C)CC)C2)ncn1
InChIInChI=1S/C19H33N5O/c1-4-10-20-17-12-18(22-14-21-17)24-11-6-7-16(13-24)8-9-19(25)23-15(3)5-2/h12,14-16H,4-11,13H2,1-3H3,(H,23,25)(H,20,21,22)/t15-,16+/m1/s1
InChIKeyNJMOLTFLYDORSS-CVEARBPZSA-N
XLogP3.21
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-butan-2-yl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide with MolForge

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Related Compounds

1-Pyrimidin-2-yl-piperidine-3-carboxylic acid cycloheptylamide
CID 3223374
1-((3S,4S)-4-amino-1-(6-(cyclopropylamino)pyrimidin-4-yl)pyrrolidin-3-yl)piperidin-2-one
CID 53318987
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 24792244
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(3-methylbutyl)acetamide
CID 53189388
N-(cyclohexylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223371
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]cyclopropanecarboxamide
CID 71795033
4-(4-Amino-2-pyrimidinyl)-9-ethyl-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72881484
N-[1-(cyclopentylcarbonyl)piperidin-4-yl]pyrimidin-4-amine
CID 72888219
N-cyclopentyl-3-methyl-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide
CID 110269120
[1-[6-(Cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 155542518
N-(cyclopropylmethyl)-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide
CID 53188682
3-{1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl}-N-(2-piperidin-1-ylethyl)propanamide
CID 53188797

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide (CID 98749562) is N-[(2R)-butan-2-yl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide is CCCNc1cc(N2CCC[C@@H](CCC(=O)N[C@H](C)CC)C2)ncn1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
The InChIKey is NJMOLTFLYDORSS-CVEARBPZSA-N. The full InChI is InChI=1S/C19H33N5O/c1-4-10-20-17-12-18(22-14-21-17)24-11-6-7-16(13-24)8-9-19(25)23-15(3)5-2/h12,14-16H,4-11,13H2,1-3H3,(H,23,25)(H,20,21,22)/t15-,16+/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
N-[(2R)-butan-2-yl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide has a molecular weight of 347.51 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide is sourced from PubChem (CID 98749562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).