N-[2-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]amino]-5-[[(3R)-2-oxopyrrolidin-3-yl]methyl]pyrimidin-4-yl]-N-(1-ethylcyclobutyl)formamide

C25H35N7O3 — CID 154974293

IUPACN-[2-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]amino]-5-[[(3R)-2-oxopyrrolidin-3-yl]methyl]pyrimidin-4-yl]-N-(1-ethylcyclobutyl)formamide
SMILESCCC1(N(C=O)c2nc(Nc3ccc(OCCN(C)C)cn3)ncc2C[C@@H]2CCNC2=O)CCC1
InChIInChI=1S/C25H35N7O3/c1-4-25(9-5-10-25)32(17-33)22-19(14-18-8-11-26-23(18)34)15-28-24(30-22)29-21-7-6-20(16-27-21)35-13-12-31(2)3/h6-7,15-18H,4-5,8-14H2,1-3H3,(H,26,34)(H,27,28,29,30)/t18-/m0/s1
InChIKeyYFWCAWVTTDINKQ-SFHVURJKSA-N
MW481.60 g/mol
LogP2.53
Rot. Bonds12

About N-[2-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]amino]-5-[[(3R)-2-oxopyrrolidin-3-yl]methyl]pyrimidin-4-yl]-N-(1-ethylcyclobutyl)formamide

N-[2-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]amino]-5-[[(3R)-2-oxopyrrolidin-3-yl]methyl]pyrimidin-4-yl]-N-(1-ethylcyclobutyl)formamide (PubChem CID 154974293) has the molecular formula C25H35N7O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[2-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]amino]-5-[[(3R)-2-oxopyrrolidin-3-yl]methyl]pyrimidin-4-yl]-N-(1-ethylcyclobutyl)formamide.

Molecular Properties

Compound NameN-[2-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]amino]-5-[[(3R)-2-oxopyrrolidin-3-yl]methyl]pyrimidin-4-yl]-N-(1-ethylcyclobutyl)formamide
PubChem CID154974293
Molecular FormulaC25H35N7O3
Molecular Weight481.60 g/mol
Exact Mass481.28
IUPAC NameN-[2-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]amino]-5-[[(3R)-2-oxopyrrolidin-3-yl]methyl]pyrimidin-4-yl]-N-(1-ethylcyclobutyl)formamide
SMILESCCC1(N(C=O)c2nc(Nc3ccc(OCCN(C)C)cn3)ncc2C[C@@H]2CCNC2=O)CCC1
InChIInChI=1S/C25H35N7O3/c1-4-25(9-5-10-25)32(17-33)22-19(14-18-8-11-26-23(18)34)15-28-24(30-22)29-21-7-6-20(16-27-21)35-13-12-31(2)3/h6-7,15-18H,4-5,8-14H2,1-3H3,(H,26,34)(H,27,28,29,30)/t18-/m0/s1
InChIKeyYFWCAWVTTDINKQ-SFHVURJKSA-N
XLogP2.53
TPSA112.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]amino]-5-[[(3R)-2-oxopyrrolidin-3-yl]methyl]pyrimidin-4-yl]-N-(1-ethylcyclobutyl)formamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]amino]-5-[[(3R)-2-oxopyrrolidin-3-yl]methyl]pyrimidin-4-yl]-N-(1-ethylcyclobutyl)formamide?
The IUPAC name of N-[2-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]amino]-5-[[(3R)-2-oxopyrrolidin-3-yl]methyl]pyrimidin-4-yl]-N-(1-ethylcyclobutyl)formamide (CID 154974293) is N-[2-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]amino]-5-[[(3R)-2-oxopyrrolidin-3-yl]methyl]pyrimidin-4-yl]-N-(1-ethylcyclobutyl)formamide.
What is the SMILES notation for N-[2-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]amino]-5-[[(3R)-2-oxopyrrolidin-3-yl]methyl]pyrimidin-4-yl]-N-(1-ethylcyclobutyl)formamide?
The canonical SMILES for N-[2-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]amino]-5-[[(3R)-2-oxopyrrolidin-3-yl]methyl]pyrimidin-4-yl]-N-(1-ethylcyclobutyl)formamide is CCC1(N(C=O)c2nc(Nc3ccc(OCCN(C)C)cn3)ncc2C[C@@H]2CCNC2=O)CCC1.
What is the InChIKey of N-[2-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]amino]-5-[[(3R)-2-oxopyrrolidin-3-yl]methyl]pyrimidin-4-yl]-N-(1-ethylcyclobutyl)formamide?
The InChIKey is YFWCAWVTTDINKQ-SFHVURJKSA-N. The full InChI is InChI=1S/C25H35N7O3/c1-4-25(9-5-10-25)32(17-33)22-19(14-18-8-11-26-23(18)34)15-28-24(30-22)29-21-7-6-20(16-27-21)35-13-12-31(2)3/h6-7,15-18H,4-5,8-14H2,1-3H3,(H,26,34)(H,27,28,29,30)/t18-/m0/s1.
What are the key properties of N-[2-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]amino]-5-[[(3R)-2-oxopyrrolidin-3-yl]methyl]pyrimidin-4-yl]-N-(1-ethylcyclobutyl)formamide?
N-[2-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]amino]-5-[[(3R)-2-oxopyrrolidin-3-yl]methyl]pyrimidin-4-yl]-N-(1-ethylcyclobutyl)formamide has a molecular weight of 481.60 g/mol, XLogP of 2.53, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]amino]-5-[[(3R)-2-oxopyrrolidin-3-yl]methyl]pyrimidin-4-yl]-N-(1-ethylcyclobutyl)formamide is sourced from PubChem (CID 154974293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).