N-[2-(azepan-1-yl)ethyl]-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide

C23H38N6O — CID 53174547

IUPACN-[2-(azepan-1-yl)ethyl]-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(c2cc(NC3CC3)ncn2)C1)NCCN1CCCCCC1
InChIInChI=1S/C23H38N6O/c30-23(24-11-15-28-12-3-1-2-4-13-28)10-7-19-6-5-14-29(17-19)22-16-21(25-18-26-22)27-20-8-9-20/h16,18-20H,1-15,17H2,(H,24,30)(H,25,26,27)
InChIKeyHAUFRGWJEGNVQJ-UHFFFAOYSA-N
MW414.60 g/mol
LogP3.04
Rot. Bonds9

About N-[2-(azepan-1-yl)ethyl]-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide

N-[2-(azepan-1-yl)ethyl]-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide (PubChem CID 53174547) has the molecular formula C23H38N6O and a molecular weight of 414.60 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
PubChem CID53174547
Molecular FormulaC23H38N6O
Molecular Weight414.60 g/mol
Exact Mass414.31
IUPAC NameN-[2-(azepan-1-yl)ethyl]-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(c2cc(NC3CC3)ncn2)C1)NCCN1CCCCCC1
InChIInChI=1S/C23H38N6O/c30-23(24-11-15-28-12-3-1-2-4-13-28)10-7-19-6-5-14-29(17-19)22-16-21(25-18-26-22)27-20-8-9-20/h16,18-20H,1-15,17H2,(H,24,30)(H,25,26,27)
InChIKeyHAUFRGWJEGNVQJ-UHFFFAOYSA-N
XLogP3.04
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.60
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(azepan-1-yl)ethyl]-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
9-(Cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 70707071
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
(1R,5S)-3-(4-aminopyrimidin-2-yl)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 155563298
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
N-cyclopentyl-3-{1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide
CID 53188519
3-{1-[6-(Ethylamino)pyrimidin-4-YL]piperidin-4-YL}-1-[4-(pyrimidin-2-YL)-1,4-diazepan-1-YL]propan-1-one
CID 53188566
N-ethyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide
CID 53188586
3-{1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl}-N-(cyclopropylmethyl)propanamide
CID 53188650

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide (CID 53174547) is N-[2-(azepan-1-yl)ethyl]-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide is O=C(CCC1CCCN(c2cc(NC3CC3)ncn2)C1)NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
The InChIKey is HAUFRGWJEGNVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O/c30-23(24-11-15-28-12-3-1-2-4-13-28)10-7-19-6-5-14-29(17-19)22-16-21(25-18-26-22)27-20-8-9-20/h16,18-20H,1-15,17H2,(H,24,30)(H,25,26,27).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
N-[2-(azepan-1-yl)ethyl]-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide has a molecular weight of 414.60 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide is sourced from PubChem (CID 53174547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).