(2R)-2-amino-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide

C18H23N5O5 — CID 46903750

IUPAC(2R)-2-amino-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)[C@H](N)Cc3cccnc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C18H23N5O5/c1-10-9-23(18(27)22-16(10)25)15-6-13(24)14(28-15)8-21-17(26)12(19)5-11-3-2-4-20-7-11/h2-4,7,9,12-15,24H,5-6,8,19H2,1H3,(H,21,26)(H,22,25,27)/t12-,13+,14-,15-/m1/s1
InChIKeyMUXNSQPFVXUFGR-LXTVHRRPSA-N
MW389.41 g/mol
LogP-1.43
Rot. Bonds6

About (2R)-2-amino-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide

(2R)-2-amino-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide (PubChem CID 46903750) has the molecular formula C18H23N5O5 and a molecular weight of 389.41 g/mol. Its IUPAC name is (2R)-2-amino-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide
PubChem CID46903750
Molecular FormulaC18H23N5O5
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Name(2R)-2-amino-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)[C@H](N)Cc3cccnc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C18H23N5O5/c1-10-9-23(18(27)22-16(10)25)15-6-13(24)14(28-15)8-21-17(26)12(19)5-11-3-2-4-20-7-11/h2-4,7,9,12-15,24H,5-6,8,19H2,1H3,(H,21,26)(H,22,25,27)/t12-,13+,14-,15-/m1/s1
InChIKeyMUXNSQPFVXUFGR-LXTVHRRPSA-N
XLogP-1.43
TPSA152.33 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R)-2-amino-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of (2R)-2-amino-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide (CID 46903750) is (2R)-2-amino-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide is Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)[C@H](N)Cc3cccnc3)O2)c(=O)[nH]c1=O.
What is the InChIKey of (2R)-2-amino-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide?
The InChIKey is MUXNSQPFVXUFGR-LXTVHRRPSA-N. The full InChI is InChI=1S/C18H23N5O5/c1-10-9-23(18(27)22-16(10)25)15-6-13(24)14(28-15)8-21-17(26)12(19)5-11-3-2-4-20-7-11/h2-4,7,9,12-15,24H,5-6,8,19H2,1H3,(H,21,26)(H,22,25,27)/t12-,13+,14-,15-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide?
(2R)-2-amino-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide has a molecular weight of 389.41 g/mol, XLogP of -1.43, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 46903750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).