N-(3-methyl-1,2-oxazol-5-yl)-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide

C18H25N5O2 — CID 86773878

IUPACN-(3-methyl-1,2-oxazol-5-yl)-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide
SMILESCc1ccc(NCC2CCN(C(C)C(=O)Nc3cc(C)no3)C2)nc1
InChIInChI=1S/C18H25N5O2/c1-12-4-5-16(19-9-12)20-10-15-6-7-23(11-15)14(3)18(24)21-17-8-13(2)22-25-17/h4-5,8-9,14-15H,6-7,10-11H2,1-3H3,(H,19,20)(H,21,24)
InChIKeyBZDHZXJUGUZBAZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.45
Rot. Bonds6

About N-(3-methyl-1,2-oxazol-5-yl)-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide

N-(3-methyl-1,2-oxazol-5-yl)-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide (PubChem CID 86773878) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide
PubChem CID86773878
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide
SMILESCc1ccc(NCC2CCN(C(C)C(=O)Nc3cc(C)no3)C2)nc1
InChIInChI=1S/C18H25N5O2/c1-12-4-5-16(19-9-12)20-10-15-6-7-23(11-15)14(3)18(24)21-17-8-13(2)22-25-17/h4-5,8-9,14-15H,6-7,10-11H2,1-3H3,(H,19,20)(H,21,24)
InChIKeyBZDHZXJUGUZBAZ-UHFFFAOYSA-N
XLogP2.45
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide (CID 86773878) is N-(3-methyl-1,2-oxazol-5-yl)-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide is Cc1ccc(NCC2CCN(C(C)C(=O)Nc3cc(C)no3)C2)nc1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide?
The InChIKey is BZDHZXJUGUZBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-4-5-16(19-9-12)20-10-15-6-7-23(11-15)14(3)18(24)21-17-8-13(2)22-25-17/h4-5,8-9,14-15H,6-7,10-11H2,1-3H3,(H,19,20)(H,21,24).
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide?
N-(3-methyl-1,2-oxazol-5-yl)-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 86773878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).