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

C19H31N5O — CID 53188682

IUPACN-(cyclopropylmethyl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCCNc1cc(N2CCC(CCC(=O)NCC3CC3)CC2)ncn1
InChIInChI=1S/C19H31N5O/c1-2-9-20-17-12-18(23-14-22-17)24-10-7-15(8-11-24)5-6-19(25)21-13-16-3-4-16/h12,14-16H,2-11,13H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyAYMYPOKVIJPVGX-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.82
Rot. Bonds9

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

N-(cyclopropylmethyl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (PubChem CID 53188682) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
PubChem CID53188682
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-(cyclopropylmethyl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCCNc1cc(N2CCC(CCC(=O)NCC3CC3)CC2)ncn1
InChIInChI=1S/C19H31N5O/c1-2-9-20-17-12-18(23-14-22-17)24-10-7-15(8-11-24)5-6-19(25)21-13-16-3-4-16/h12,14-16H,2-11,13H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyAYMYPOKVIJPVGX-UHFFFAOYSA-N
XLogP2.82
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
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-(cyclopropylmethyl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (CID 53188682) is N-(cyclopropylmethyl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is CCCNc1cc(N2CCC(CCC(=O)NCC3CC3)CC2)ncn1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The InChIKey is AYMYPOKVIJPVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-2-9-20-17-12-18(23-14-22-17)24-10-7-15(8-11-24)5-6-19(25)21-13-16-3-4-16/h12,14-16H,2-11,13H2,1H3,(H,21,25)(H,20,22,23).
What are the key properties of N-(cyclopropylmethyl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
N-(cyclopropylmethyl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide has a molecular weight of 345.49 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 53188682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).