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

C18H31N5O — CID 53174246

IUPACN-propan-2-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
SMILESCCCNc1cc(N2CCCC(CCC(=O)NC(C)C)C2)ncn1
InChIInChI=1S/C18H31N5O/c1-4-9-19-16-11-17(21-13-20-16)23-10-5-6-15(12-23)7-8-18(24)22-14(2)3/h11,13-15H,4-10,12H2,1-3H3,(H,22,24)(H,19,20,21)
InChIKeyXRYQALJACYVUEO-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.82
Rot. Bonds8

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

N-propan-2-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide (PubChem CID 53174246) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N-propan-2-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
PubChem CID53174246
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN-propan-2-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
SMILESCCCNc1cc(N2CCCC(CCC(=O)NC(C)C)C2)ncn1
InChIInChI=1S/C18H31N5O/c1-4-9-19-16-11-17(21-13-20-16)23-10-5-6-15(12-23)7-8-18(24)22-14(2)3/h11,13-15H,4-10,12H2,1-3H3,(H,22,24)(H,19,20,21)
InChIKeyXRYQALJACYVUEO-UHFFFAOYSA-N
XLogP2.82
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
The IUPAC name of N-propan-2-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide (CID 53174246) is N-propan-2-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-propan-2-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
The canonical SMILES for N-propan-2-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide is CCCNc1cc(N2CCCC(CCC(=O)NC(C)C)C2)ncn1.
What is the InChIKey of N-propan-2-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
The InChIKey is XRYQALJACYVUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-4-9-19-16-11-17(21-13-20-16)23-10-5-6-15(12-23)7-8-18(24)22-14(2)3/h11,13-15H,4-10,12H2,1-3H3,(H,22,24)(H,19,20,21).
What are the key properties of N-propan-2-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
N-propan-2-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide has a molecular weight of 333.48 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide is sourced from PubChem (CID 53174246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).